SCHEMBL7995306

SCHEMBL7995306

CNc1ccc(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.40
EPHX2 P34913 6/20 0.39
NPC1 O15118 2/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL5513043 0.89 IDO1 (0.37) ALDH1A1KMT2APOLBKDM4E
Phenol SCHEMBL27620144 0.84 ALDH1A1 (0.41) ALDH1A1KMT2AEPHX2NPC1ALPL
SCHEMBL20076621 0.80 PRKCI (0.34) ALDH1A1KDM4E
SCHEMBL5513312 0.80 BRAF (0.32)
SCHEMBL30720089 0.80 PKM (0.31) ALDH1A1PKMRXFP1
SCHEMBL5513296 0.80 MAP2K1 (0.33) ALDH1A1KMT2AEPHX2LMNA
SCHEMBL20076714 0.80 PKM (0.31) ALDH1A1PKMRXFP1
SCHEMBL23137432 0.78 EGFR (0.36) ALDH1A1
SCHEMBL17111329 0.78 HTR2A (0.38) ALDH1A1KMT2ALMNATP53ALOX12
SCHEMBL22487793 0.78 RET (0.39) ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025016138-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SUZHOU EOC MEDICAL RESEARCH CO., LTD. (CN) 2025-01-23 WO disclosed
CN-117466803-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2024-01-30 CN disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
CN-116640140-A Polycyclic-carbamoyl pyridone compounds and pharmaceutical uses thereof 吉利德科学公司 2023-08-25 CN disclosed
CN-111132976-B Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2023-08-22 CN disclosed
WO-2023081845-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
CN-111303152-B Polycyclic-carbamoylpyridone compounds and their pharmaceutical use 吉利德科学公司 2023-04-11 CN disclosed
CN-113874079-A Bridged tricyclic carbamoylpyridone compounds and pharmaceutical use thereof 吉利德科学公司 2021-12-31 CN disclosed
WO-2021226458-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
CN-111454273-A Polycyclic carbonyl pyridinone compounds and pharmaceutical use thereof 吉利德科学公司 2020-07-28 CN disclosed
US-9676747-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-06-13 US disclosed
CN-105744936-A Substituted quinolizine derivatives useful as HIV integrase inhibitors 默沙东公司 2016-07-06 CN disclosed
CN-104995198-A POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC 2015-10-21 CN disclosed
US-9061008-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2015-06-23 US disclosed
WO-2012075232-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING THE SAME TREVENA, INC. (US) 2012-06-07 WO disclosed
US-7879795-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-01 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 US disclosed
WO-2001023356-A1 SUBSTITUTED N-PHENYL-PHENOXY NICOTINIC ACID-(THIO) AMIDES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-05 WO disclosed
US-3978091-A FUNGICIDES, INSECTICIDES, NEMATOCIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-08-31 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 (3 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR ALDH1A1 4544/4885KMT2A 3925/4885EPHX2 4379/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3735/4885KMT2A 2321/4885EPHX2 2265/4885
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 ALDH1A1 3712/4885KMT2A 2401/4885EPHX2 370/4885

“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.