SCHEMBL234452

SCHEMBL234452

[c]1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
PDE10A Q9Y233 1/20 0.43
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
DHODH Q02127 1/20 0.41
TOP1 P11387 1/20 0.40
ACACA Q13085 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 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
SCHEMBL29133411 0.96 DHODH (0.46) ACHESMN1; SMN2LMNAKDM4EHPGD
SCHEMBL4875167 0.87 MAPT (0.46) ACHESMN1; SMN2LMNAKDM4EHPGD
SCHEMBL8087264 0.87 CYP2C9 (0.53) LMNAKDM4EHPGDMEN1RAB9A
SCHEMBL4907021 0.85 NPC1 (0.53) SMN1; SMN2LMNAKDM4EMEN1RAB9A
SCHEMBL4901955 0.85 CYP1A1 (0.41) LMNAKDM4EMEN1RAB9AKMT2A
SCHEMBL5780643 0.85 CYP19A1 (0.47) SMN1; SMN2LMNAKDM4EHPGDMEN1
SCHEMBL4912670 0.85 ALDH1A1 (0.45) KDM4EHPGDPDE10AMEN1RAB9A
SCHEMBL8087285 0.83 CYP19A1 (0.47) KDM4EHPGDMEN1RAB9AKMT2A
SCHEMBL5756985 0.81 ACP1 (0.43) SMN1; SMN2LMNAKDM4EMEN1RAB9A
SCHEMBL17941210 0.81 MPO (0.37) ACHESMN1; SMN2KDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388003-B1 Colchicine derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-12-29 EP claimed
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 US claimed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 US claimed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 US claimed
WO-2012134446-A1 EPIANDROSTERONE AND/OR ANDROSTERONE DERIVATIVES AND METHOD OF USE THEREOF SUTTER WEST BAY HOSPITALS doing business as CALIFORNIA PACIFIC MEDICAL CENTER (US) 2012-10-04 WO claimed
EP-2388003-A2 Colchicine derivatives California Pacific Medical Center (US) 2011-11-23 EP claimed
JP-4699373-B2 2011-06-08 JP claimed
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 US claimed
EP-1643987-A4 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2008-07-09 EP claimed
US-20080113941-A1 Podophyllotoxin Derivatives CALIFORNIA PACIFIC MEDICAL CENTER 2008-05-15 US claimed
US-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-06-24 US claimed
WO-2004041813-A1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 WO claimed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 WO claimed
US-6653295-B2 Protease inhibitor; viricide BRISTOL-MYERS SQUIBB COMPANY 2003-11-25 US claimed
US-20030100768-A1 Imidazolidinones and their related derivatives as hepatitis C virus NS3 protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-05-29 US claimed
US-20030064962-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-04-03 US claimed
WO-2002048102-A2 ISOCOUMARIN INHIBITING PRODUCTION OF AMYLOID PEPTIDE, PREPARATION, COMPOSITIONS CONTAINING SAME AND USES TROPHOS (FR) 2002-06-20 WO claimed
WO-2002048116-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO claimed
WO-2002048157-A2 IMIDAZOLIDINONES AND THEIR RELATED DERIVATIVES AS HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO claimed
US-4118561-A ANTIBACTERIAL, SYNERGISTIC, ANTI-CANCER ACTIVITY, ANTI-FOLIC ACID ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1978-10-03 US claimed

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

For each of this compound's patents that has machine-readable text (7 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-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR ACHE 507/4885SMN1; SMN2 1662/4885LMNA 1893/4885
US-20030100768-A1 Imidazolidinones and their related derivatives as hepatitis C virus NS3 protease inhibitors PRSS1, SPINT2, SERPINB1 ACHE 3803/4885SMN1; SMN2 4044/4885LMNA 2518/4885
US-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases ROCK1, ROCK2, PRKCH ACHE 2099/4885SMN1; SMN2 1581/4885LMNA 1692/4885
US-20080113941-A1 Podophyllotoxin Derivatives APEH, DAGLA, DPY30 ACHE 593/4885SMN1; SMN2 4445/4885LMNA 1033/4885
US-20030064962-A1 Inhibitors of hepatitis C virus NS3 protease PRSS1, SERPINB1, SPINT2 ACHE 3478/4885SMN1; SMN2 3989/4885LMNA 2645/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR ACHE 507/4885SMN1; SMN2 1662/4885LMNA 1893/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 ACHE 593/4885SMN1; SMN2 4445/4885LMNA 1033/4885

“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.