SCHEMBL17006121

SCHEMBL17006121

C=Cc1cc(F)ccc1C=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTPN1 P18031 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
NFE2L2 Q16236 4/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
TGM2 P21980 1/20 0.34

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
SCHEMBL4363014 0.86 ERN1 (0.46) ERN1KDM4EALDH1A1PTPN1TDP1
SCHEMBL29957006 0.86 ERN1 (0.46) ERN1KDM4EALDH1A1PTPN1TDP1
Water SCHEMBL28915146 0.84 ERN1 (0.45) ERN1KDM4EALDH1A1PTPN1TDP1
SCHEMBL31322080 0.76 FLT3 (0.40) ERN1KDM4EALDH1A1TDP1MEN1
SCHEMBL28331091 0.76 ALDH1A1 (0.41) KDM4EALDH1A1TDP1MEN1LMNA
SCHEMBL1950982 0.75 TDO2 (0.54) KDM4EALDH1A1
SCHEMBL7797914 0.75 TDO2 (0.54) KDM4EALDH1A1
SCHEMBL319771 0.75 NFE2L2 (0.54) ALDH1A1LMNANFE2L2CES2CES1
SCHEMBL18181691 0.75 KDM4E (0.44) ERN1KDM4EALDH1A1PTPN1TDP1
SCHEMBL491580 0.75 NFE2L2 (0.54) ERN1ALDH1A1NFE2L2CES2CES1

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
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
EP-3107918-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-12-28 EP disclosed
US-9273067-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
WO-2015126737-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 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-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication TYMP, EIF2AK2, MAVS ERN1 336/4885KDM4E 1988/4885ALDH1A1 3005/4885

“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.