Sugi Predict

Sugi Predict / Compounds / SCHEMBL291458

SCHEMBL291458

SCHEMBL291458

[CH2]c1[nH]cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ CYP2A6 P11509 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HPRT1 P00492 1/20 0.36
▸ PRKCI P41743 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ AHR P35869 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32

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
SCHEMBL1672648 0.74 ALDH1A1 (0.43) PARP1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL23931683 0.72 ALDH1A1 (0.41) PARP1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL2007326 0.70 ALDH1A1 (0.39) PARP1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL3034404 0.70 ALDH1A1 (0.39) PARP1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL28421357 0.70 ALDH1A1 (0.39) PARP1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL7137927 0.70 ALDH1A1 (0.39) PARP1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL2430675 0.70 ALDH1A1 (0.42) PARP1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL10772733 0.70 ALDH1A1 (0.47) PARP1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL7775030 0.70 CYP1A2 (0.42) PARP1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL28014719 0.70 CYP2A6 (0.42) PARP1ALDH1A1HSD17B10CYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683616-A KRAS G12C mutein inhibitors 广州百霆医药科技有限公司 2021-11-23 — — CN claimed
CN-118251218-A Combination therapy for treating cancer using PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-06-25 — — CN disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 — — CN disclosed
CN-117769421-A Combination therapy for treating cancer using PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-03-26 — — CN disclosed
CN-117769420-A Combination therapy for treating cancer using PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-03-26 — — CN disclosed
CN-112004816-B PRC2 inhibitors 米拉蒂医疗股份有限公司 2024-01-05 — — CN disclosed
CN-117355503-A Prodrugs of KV7 channel openers 艾可斯外扎根股份有限公司 2024-01-05 — — CN disclosed
CN-117321031-A Prodrugs of KV7 channel openers 艾可斯外扎根股份有限公司 2023-12-29 — — CN disclosed
CN-117295711-A Prodrugs of KV7 channel openers 艾可斯外扎根股份有限公司 2023-12-26 — — CN disclosed
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-05-30 — — US disclosed
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SHUNICHI SHIOZAWA (JP) 2005-05-26 — — US disclosed
CN-1602291-A Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-03-30 — — CN disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 — — US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 — — EP disclosed
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2004-07-01 — — US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 — — EP disclosed
EP-1375486-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2004-01-02 — — EP disclosed
US-6384065-B1 CONTROL THE FUNCTIONS OF PROTEINS SUCH AS ENZYMES AND RECEPTOR FORTREATING INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS, TOYAMA CHEMICAL CO., LTD. (JP) 2002-05-07 — — US disclosed
CN-1325376-A Novel compound and medical use thereof TOYAMA CHEMICAL CO LTD (JP) 2001-12-05 — — CN disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 — — EP 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT PARP1 463/4885ALDH1A1 658/4885HSD17B10 1428/4885
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 PARP1 431/4885ALDH1A1 1652/4885HSD17B10 1376/4885
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity DUT, PNP, INMT PARP1 244/4885ALDH1A1 1123/4885HSD17B10 837/4885
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SP1, AP1G1, JUN PARP1 1054/4885ALDH1A1 1493/4885HSD17B10 1624/4885

“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.