SCHEMBL1126714

SCHEMBL1126714

Cc1cc(-c2ccccc2)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
CASP1 P29466 1/20 0.50
TTK P33981 1/20 0.50
AURKB Q96GD4 1/20 0.50
INCENP Q9NQS7 1/20 0.50
ALDH1A1 P00352 2/20 0.46
MCL1 Q07820 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
HMBS P08397 1/20 0.42
NOTUM Q6P988 2/20 0.40
ALOX5 P09917 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL28280408 0.80 HMBS (0.48) ALDH1A1MCL1HMBSNOTUMTDP1
SCHEMBL27643249 0.78 ERCC1 (0.55) MAPTALDH1A1KDM4EHMBSSMN1; SMN2
SCHEMBL28240618 0.76 NPC1 (0.47) MAPTALDH1A1HMBSNPC1RAB9A
SCHEMBL333740 0.75 MAPT (0.50) AURKAMAPTTHRBCASP1TTK
SCHEMBL8954750 0.75 MAPT (0.46) AURKAMAPTTHRBCASP1TTK
SCHEMBL25364857 0.74 MAPT (0.42) AURKAMAPTTHRBCASP1TTK
SCHEMBL17279792 0.74 MAPT (0.42) AURKAMAPTTHRBCASP1TTK
SCHEMBL6291849 0.73 MAPT (0.59) AURKAMAPTTHRBCASP1TTK
SCHEMBL27680337 0.73 AURKA (0.48) AURKAMAPTTHRBCASP1TTK
SCHEMBL27844605 0.73 AURKA (0.48) AURKAMAPTTHRBCASP1TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111606888-B Pyrrole derivative and preparation method and application thereof 中国药科大学 2023-08-18 CN disclosed
WO-2022260163-A1 COMPOUND OR SALT THEREOF AND PHOTOSENSITIZER 国立大学法人長崎大学 2022-12-15 WO disclosed
WO-2022260163-A1 COMPOUND OR SALT THEREOF AND PHOTOSENSITIZER 国立大学法人長崎大学 2022-12-15 WO disclosed
CN-111606888-A Pyrrole derivative and preparation method and application thereof 中国药科大学 2020-09-01 CN disclosed
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-26 US disclosed
CN-107207470-B Antifungal agent F2G有限公司 2019-12-03 CN disclosed
CN-109982704-A Pharmaceutical preparation F2G有限公司 2019-07-05 CN disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-9878999-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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 (2 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-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs PSMB3, PSME3, PSMD3 AURKA 1239/4885MAPT 2274/4885THRB 1759/4885
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 AURKA 1239/4885MAPT 2274/4885THRB 1759/4885

“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.