SCHEMBL182465

SCHEMBL182465

O=Cc1ccc2[nH]ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.53
ROCK2 O75116 3/20 0.53
MAPT P10636 2/20 0.53
ROCK1 Q13464 2/20 0.53
METAP2 P50579 1/20 0.53
CSNK2A1 P68400 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NEK2 P51955 1/20 0.52
CYP2A6 P11509 1/20 0.52
MAOB P27338 5/20 0.50
POLB P06746 2/20 0.50
CLK1 P49759 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29569257 1.00 NOS1 (0.53) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL10658 0.86 GSK3B (0.65) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL29569662 0.85 NOS1 (0.53) NOS1MAPTMETAP2KDM4EMEN1
SCHEMBL578417 0.85 NOS1 (0.53) NOS1MAPTMETAP2KDM4EMEN1
SCHEMBL12633807 0.82 NOS1 (0.44) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL3722635 0.81 NOS1 (0.53) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL12833351 0.81 NOS1 (0.53) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL6599321 0.81 ROCK2 (0.53) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL1754870 0.79 NEK2 (0.62) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL20821115 0.78 NOS1 (0.50) NOS1ROCK2MAPTROCK1METAP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 425 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970456-B1 Synthesis of thiosemicarbazide analogue as inhibitor of tyrosinase, skin hyperpigmentation, and fruit and/or vegetable browning KING SAUD UNIVERSITY (SA) 2024-04-30 US claimed
CN-114105879-B Preparation of novel isophorone derivatives and application thereof in the fields of organelle labeling and viscosity detection 苏州大学 2023-08-11 CN claimed
WO-2023087503-A1 PREPARATION OF NOVEL ISOPHORONE DERIVATIVES AND USE THEREOF IN FIELDS OF ORGANELLE LABELING AND VISCOSITY DETECTION 苏州大学 2023-05-25 WO claimed
CN-114105879-A Preparation of novel isophorone derivative and application of novel isophorone derivative in fields of organelle marking and viscosity detection 苏州大学 2022-03-01 CN claimed
CN-112266378-B Imidazole derivative containing indazole structure and preparation method and application thereof 延边大学 2021-10-12 CN claimed
CN-112266378-A Imidazole derivative containing indazole structure and preparation method and application thereof 延边大学 2021-01-26 CN claimed
CN-108884096-A Spiral shell dihydroindolone as DDR1 inhibitor 豪夫迈·罗氏有限公司 2018-11-23 CN claimed
US-20260109670-A1 METHOD FOR ARYL DEBROMINATION AND ACYLATION OF BROMINATED BENZO-FUSED NITROGEN HETEROCYCLE Shanghai OuChem Bio-Technology Co., LTD (CN) 2026-04-23 US disclosed
US-12600717-B2 Tricyclic compounds as inhibitors of KRAS INCYTE CORPORATION (US) 2026-04-14 US disclosed
US-20250340542-A1 THYROID HORMONE RECEPTOR AGONISTS INVENTISBIO CO LTD (CN) 2025-11-06 US disclosed
US-20250340539-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1, AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2025-11-06 US disclosed
US-12391677-B2 Thyroid hormone receptor agonists InventisBio Co., Ltd. (CN) 2025-08-19 US disclosed
US-20250215012-A1 IKZF2 DEGRADERS AND USES THEREOF UNIV MICHIGAN (US) 2025-07-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN disclosed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP disclosed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 WO disclosed
US-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 US disclosed
CN-1176597-A Benzothiopyranoindazoles antitumor agents SANOFI WINTHROP INC (US) 1998-03-18 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12600717-B2 Tricyclic compounds as inhibitors of KRAS KRAS, NRAS, HRAS NOS1 4680/4885ROCK2 825/4885MAPT 4851/4885
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR NOS1 235/4885ROCK2 2945/4885MAPT 2563/4885
US-12391677-B2 Thyroid hormone receptor agonists TSHR, THRA, TRHR NOS1 2291/4885ROCK2 3086/4885MAPT 3701/4885
US-20250215012-A1 IKZF2 DEGRADERS AND USES THEREOF IKZF1, IKZF2, IKZF3 NOS1 4286/4885ROCK2 2911/4885MAPT 3386/4885
US-20250340542-A1 THYROID HORMONE RECEPTOR AGONISTS TSHR, THRA, TRHR NOS1 2214/4885ROCK2 3153/4885MAPT 3506/4885
US-20260109670-A1 METHOD FOR ARYL DEBROMINATION AND ACYLATION OF BROMINATED BENZO-FUSED NITROGEN HETEROCYCLE NAT1, AADAC, NAA15 NOS1 496/4885ROCK2 3631/4885MAPT 4076/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA NOS1 131/4885ROCK2 2/4885MAPT 3261/4885
US-11970456-B1 Synthesis of thiosemicarbazide analogue as inhibitor of tyrosinase, skin hyperpigmentation, and fruit and/or vegetable browning TYR, TH, PRKACA NOS1 288/4885ROCK2 1419/4885MAPT 1559/4885
US-20250340539-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1, AND/OR CLK4 CLK1, CLK2, CLK3 NOS1 2741/4885ROCK2 1040/4885MAPT 312/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.