SCHEMBL8865124

SCHEMBL8865124

NNCCc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.66
ALDH1A1 P00352 3/20 0.63
LMNA P02545 3/20 0.63
TAAR1 Q96RJ0 1/20 0.63
ALOX15 P16050 1/20 0.63
CYP1A2 P05177 4/20 0.61
HRH1 P35367 2/20 0.61
CYP2C19 P33261 2/20 0.56
TDP1 Q9NUW8 1/20 0.54
CYP2D6 P10635 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM1A O60341 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
IDO1 P14902 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL1921574 0.83 HRH3 (0.70) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL23053146 0.81 CYP1A2 (0.69) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL29485678 0.79 HRH1 (0.73) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL230753 0.79 HRH1 (0.73) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL6890812 0.79 HRH3 (0.66) HRH3ALDH1A1LMNATAAR1ALOX15
Betahistine SCHEMBL28346535 0.79 HRH3 (1.00) HRH3ALDH1A1LMNATAAR1ALOX15
Betahistine SCHEMBL29354603 0.79 HRH3 (1.00) HRH3ALDH1A1LMNATAAR1ALOX15
Betahistine SCHEMBL125582 0.79 HRH3 (1.00) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL11076804 0.79 HRH3 (0.66) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL29562166 0.79 HRH3 (0.66) HRH3ALDH1A1LMNATAAR1ALOX15

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606921-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2022-06-01 EP disclosed
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 WO disclosed
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2020-04-16 US disclosed
EP-3606921-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. Inventiva (FR) 2020-02-12 EP disclosed
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 CN disclosed
WO-2018185266-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2018-10-11 WO disclosed
WO-2018039621-A1 INHIBITION OF OLIG2 ACTIVITY Curtana Pharmaceuticals, Inc. (US) 2018-03-01 WO disclosed
EP-1654257-B1 AMINOPYRONES AND THEIR USE AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2010-03-17 EP disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 EP disclosed
US-4201784-A ANTITUMOR INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR (SU) 1980-05-06 US disclosed
US-4013600-A STORAGE STABILITY RHONE-POULENC INDUSTRIES (FR) 1977-03-22 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-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA YAP1, TEAD2, TEAD1 HRH3 2710/4885ALDH1A1 3397/4885LMNA 1393/4885

“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.