SCHEMBL5535

SCHEMBL5535

Cc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
CYP3A4 P08684 1/20 0.67
ALDH1A1 P00352 2/20 0.62
HIF1A Q16665 1/20 0.62
VCAM1 P19320 1/20 0.58
LMNA P02545 5/20 0.52
RECQL P46063 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GPR35 Q9HC97 1/20 0.50
RAB9A P51151 1/20 0.50
KAT2B Q92831 2/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
S1PR4 O95977 1/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
MITF O75030 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL29580086 1.00 TSHR (0.67) TSHRCYP3A4ALDH1A1HIF1AVCAM1
SCHEMBL247992 0.83 TSHR (0.67) TSHRCYP3A4ALDH1A1HIF1AVCAM1
SCHEMBL29384695 0.83 TSHR (0.67) TSHRCYP3A4ALDH1A1HIF1AVCAM1
SCHEMBL2654598 0.81 ALDH1A1 (0.50) TSHRCYP3A4ALDH1A1HIF1AVCAM1
SCHEMBL294724 0.80 TSHR (1.00) TSHRCYP3A4ALDH1A1RECQLGPR35
SCHEMBL11189916 0.78 TSHR (0.72) TSHRCYP3A4ALDH1A1LMNARECQL
SCHEMBL29462663 0.78 ATM (0.69) TSHRALDH1A1HIF1AVCAM1LMNA
SCHEMBL102780 0.78 ATM (0.69) TSHRALDH1A1HIF1AVCAM1LMNA
SCHEMBL11579276 0.78 ALDH1A1 (0.67) TSHRALDH1A1HIF1AVCAM1LMNA
SCHEMBL29613904 0.78 TSHR (0.72) TSHRCYP3A4ALDH1A1LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659017-B TRPML1/2 modulator compound, pharmaceutical composition, preparation method and application thereof 北京华益健康药物研究中心 2026-05-15 CN disclosed
EP-4724543-A1 IRIDIUM COMPLEXES USED AS PHOTOSENSITIZERS Université Grenoble Alpes (FR) 2026-04-15 EP disclosed
EP-4652154-A1 NOVEL ALPK1 INHIBITORS Pyrotech (Beijing) Biotechnology Co., Ltd. (CN) 2025-11-26 EP disclosed
US-12466815-B2 Carboxamide compounds and uses thereof INCYTE CORPORATION (US) 2025-11-11 US disclosed
US-12421218-B2 Substituted pyrazine-carboxamide derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-09-23 US disclosed
EP-4608822-A1 NOVEL SUBSTITUTED PYRAZINE-CARBOXAMIDE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2025-09-03 EP disclosed
US-20250243168-A1 ACETYL-COA SYNTHETASE 2 (ACSS2) INHIBITORS AND METHODS USING SAME THE WISTAR INST (US) 2025-07-31 US disclosed
US-12338226-B2 Substituted benzodiazoles and use thereof in therapy THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2025-06-24 US disclosed
CN-120091815-A T-type voltage-gated calcium channel enhancer 广泛研究所股份有限公司 2025-06-03 CN disclosed
CN-120077036-A Novel substituted pioglitazone oxazine carboxamide derivatives 勃林格殷格翰国际有限公司 2025-05-30 CN disclosed
EP-0129692-A2 Dibenzodiazepin derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-01-02 EP disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4182872-A CORRESPONDING 4-CARBOBENZOXY COMPOUNDS, 2,3,4,4A-TETRAHYDRO-1H-PYRAZINO(1,2-A)QUINOXALIN-5(6H)-ONES, 2,3,4,4A,5,6-HEXAHYDRO-1H-PYRAZINO(1,2-A)QUINOXALINES, HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1980-01-08 US disclosed
US-4182869-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1980-01-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US disclosed
US-4138567-A HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1979-02-06 US disclosed
US-4089958-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-16 US disclosed
US-4032639-A 2,3,4,4A-Tetrahydro-1H-pyrazino[1,2-a,]quinoxalin-5(6H)-ones and derivatives thereof for relieving hypertension AMERICAN HOME PRODUCTS CORPORATION (US) 1977-06-28 US 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 (4 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-12421218-B2 Substituted pyrazine-carboxamide derivatives GRM4, GRIA4, GRM1 TSHR 430/4885CYP3A4 309/4885ALDH1A1 1762/4885
US-12466815-B2 Carboxamide compounds and uses thereof PCK1, PHKG2, PHKG1 TSHR 4815/4885CYP3A4 1958/4885ALDH1A1 2561/4885
US-20250243168-A1 ACETYL-COA SYNTHETASE 2 (ACSS2) INHIBITORS AND METHODS USING SAME ACSS2, ACACB, ACACA TSHR 4791/4885CYP3A4 3058/4885ALDH1A1 170/4885
US-12338226-B2 Substituted benzodiazoles and use thereof in therapy XDH, CYP11B2, CYP4X1 TSHR 1665/4885CYP3A4 10/4885ALDH1A1 274/4885

“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.