SCHEMBL1107218

SCHEMBL1107218

Nc1cc2ncccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ATM Q13315 2/20 0.47
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
HTT P42858 2/20 0.47
CASP1 P29466 1/20 0.47
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2C Q14957 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
Hydrochloric Acid SCHEMBL1099249 0.98 ALOX5 (0.47) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL2177279 0.79 CYP2A6 (0.52) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL28017683 0.78 ALOX5 (0.43) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL1479681 0.77 ALOX5 (0.42) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL16023610 0.75 ALOX5 (0.41) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL105045 0.75 NR4A2 (0.42) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL306185 0.75 HTT (0.42) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL8113780 0.75 ALOX5 (0.41) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL3483357 0.75 ALOX5 (0.44) ALOX5ALDH1A1MAPTKDM4ETP53
SCHEMBL31001832 0.75 NR4A2 (0.42) ALOX5ALDH1A1MAPTKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1910190-A Thienopyrimidine and thienopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2007-02-07 CN claimed
WO-2004082686-A2 USE OF COMPOUNDS WITH COMBINED 5-HT1A AND SSRI ACTIVITIES TO TREAT SEXUAL DYSFUNCTION DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 WO claimed
US-20040192730-A1 Methods of using compounds with combined 5-HT1A and SSRI activities as-needed to treat sexual dysfunction DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 US claimed
JP-6179681-A None JP disclosed
CN-117486794-A Polysubstituted quinoline derivative and synthetic method and application thereof 华东师范大学 2024-02-02 CN disclosed
US-10198478-B2 Methods and systems for technology analysis and mapping MAGIC NUMBER, INC. (US) 2019-02-05 US disclosed
US-20170046398-A1 Methods and systems for technology analysis and mapping SPORE, INC. (US) 2017-02-16 US disclosed
US-9483551-B2 Methods and systems for technology analysis and mapping SPORE, INC. (US) 2016-11-01 US disclosed
US-9434711-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2016-09-06 US disclosed
US-9434711-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2016-09-06 US disclosed
CN-101591346-B Novel method for synthesizing related substance B of clopidogrel bisulfate BEIJING HUAXI PHARM. CO., LTD. (CN) 2014-10-29 CN disclosed
EP-0581106-B1 Substituted aminothienopyridines, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-05-20 EP disclosed
EP-0581106-B1 Substituted aminothienopyridines, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-05-20 EP disclosed
US-5519032-A ANTIDEPRESSANTS, ANXIOLYTICS, ANTIEMETICS, ANTIPSYCHOTIC HOECHST MARION ROUSSEL INC. (US) 1996-05-21 US disclosed
US-5519032-A ANTIDEPRESSANTS, ANXIOLYTICS, ANTIEMETICS, ANTIPSYCHOTIC HOECHST MARION ROUSSEL INC. (US) 1996-05-21 US disclosed
JP-H06179681-A SUBSTITUTED AMINOTHIENOPYRIDINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS HOECHST ROUSSEL PHARMACEUT INC 1994-06-28 JP disclosed
EP-0581106-A1 Substituted aminothienopyridines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-02-02 EP disclosed
EP-0581106-A1 Substituted aminothienopyridines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-02-02 EP disclosed
US-5252581-A Modulators of neurotransmitters HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-10-12 US disclosed
US-5252581-A Modulators of neurotransmitters HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-10-12 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 (1 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-20040192730-A1 Methods of using compounds with combined 5-HT1A and SSRI activities as-needed to treat sexual dysfunction HTR5A, HTR1A, HTR3A ALOX5 137/4885ALDH1A1 529/4885MAPT 3682/4885

“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.