SCHEMBL6161727

SCHEMBL6161727

CNc1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.58
APP P05067 6/20 0.47
PTPN1 P18031 1/20 0.47
TXN P10599 1/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL101703 0.92
Hydrochloric Acid SCHEMBL3742607 0.89 TSHR (0.48) KIF11APPTSHRKCNH2ACHE
Iodide SCHEMBL20838269 0.89 TSHR (0.48) KIF11APPTSHRMEN1KMT2A
SCHEMBL5147226 0.86 KIF11 (0.64) KIF11APPTSHRMEN1KMT2A
SCHEMBL23742242 0.80 TAAR1 (0.50) KIF11APPTSHRALDH1A1
SCHEMBL20284425 0.80 PTPN1 (0.83) PTPN1MEN1NPC1RAB9AKMT2A
SCHEMBL21340418 0.78 MEN1 (0.53) KIF11APPTSHRMEN1NPC1
SCHEMBL3022633 0.78 FFAR1 (0.46) APPKCNH2
Diethylamine SCHEMBL11879100 0.78 LMNA (0.42) KIF11APPTSHRKCNH2ALDH1A1
SCHEMBL16270804 0.78 CNR1 (0.50) KIF11APPTSHRMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO disclosed
CN-103242273-A 2-arylbenzofuran-7-methanamide compound, preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2013-08-14 CN disclosed
EP-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
CN-1157376-C Arylpiperidinopropanol and arylpiperazinopropanol derivatives and drugs containing the same ��һ��������ҩ��ʽ���� 2004-07-14 CN disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed
EP-0757986-B1 Arylpiperidine and arylpiperazine derivatives and drugs containing the same SUNTORY LTD (JP) 2002-06-12 EP disclosed
CN-1246110-A Arylpiperidinopropanol and arylpiperazinopropanol derivatives and drugs containing the same SUNTORY LTD (JP) 2000-03-01 CN disclosed
US-5723475-A Arylpiperidine and arylpiperazine derivatives and medicament containing the same SUNTORY LIMITED (JP) 1998-03-03 US disclosed
EP-0757986-A1 ARYLPIPERIDINE AND ARYLPIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-12 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 (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-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 KIF11 3961/4885APP 1463/4885PTPN1 925/4885

“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.