SCHEMBL14047784

SCHEMBL14047784

CCC(=O)c1ccc(N)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.46
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
CYP3A4 P08684 2/20 0.40
ESR2 Q92731 1/20 0.40
PTPN1 P18031 1/20 0.40
POLB P06746 3/20 0.39
CRBN Q96SW2 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
DGAT1 O75907 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
MAOA P21397 1/20 0.36
HTR2C P28335 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR3A P46098 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
SCHEMBL27944283 0.85 HSP90AB1 (0.42) HSP90AB1ALDH1A1MAPTKDM4EGAA
SCHEMBL29115481 0.83 MAPT (0.41) ALDH1A1MAPTKDM4EGAACYP3A4
SCHEMBL28524236 0.83 MAPT (0.41) ALDH1A1MAPTKDM4EGAACYP3A4
SCHEMBL29746067 0.81 CES2 (0.61) HSP90AB1CES2CES1KCNH2PKM
SCHEMBL196379 0.81 CES2 (0.61) HSP90AB1CES2CES1KCNH2PKM
SCHEMBL9559750 0.81 HSP90AB1 (0.48) HSP90AB1ALDH1A1MAPTKDM4EGAA
SCHEMBL21089962 0.79 HSP90AB1 (0.67) HSP90AB1ALDH1A1MAPTKDM4EGAA
SCHEMBL30494600 0.79 HSP90AB1 (0.47) HSP90AB1ALDH1A1MAPTKDM4EPOLB
SCHEMBL11989337 0.79 HSP90AB1 (0.47) HSP90AB1ALDH1A1MAPTKDM4EGAA
SCHEMBL177181 0.79 HSP90AB1 (0.67) HSP90AB1ALDH1A1MAPTCYP3A4ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
EP-3666772-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-06-17 EP disclosed
US-20180194745-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-12 US disclosed
US-20170298052-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-19 US disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO 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-20180194745-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES OGFOD1, VASP, PNPO HSP90AB1 4265/4885ALDH1A1 2345/4885MAPT 4438/4885
US-20170298052-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES OGFOD1, PNPO, VASP HSP90AB1 4234/4885ALDH1A1 1944/4885MAPT 4488/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 HSP90AB1 3762/4885ALDH1A1 1218/4885MAPT 4565/4885

“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.