SCHEMBL23723768

SCHEMBL23723768

COc1ccc(Cl)c(O)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 4/20 0.39
CYP3A4 P08684 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 3/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TUBB1 Q9H4B7 1/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL14882573 0.82 MAPT (0.50) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL7939404 0.80 HTR2A (0.47) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL69364 0.80 MAPT (0.48) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL15685342 0.79 HTR2A (0.41) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL19756643 0.78 HTR2A (0.46) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL1065689 0.78 TUBB1 (0.43) ALDH1A1KMT2AHTR2AHTR2CHTR2B
SCHEMBL9814072 0.78 CLCN2 (0.41) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL12957891 0.77 HTR2A (0.41) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL24724645 0.77 MEP1B (0.44) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL2549340 0.75 IDO1 (0.44) ALDH1A1MEN1KMT2AMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 US disclosed
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 US disclosed
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 US disclosed
EP-4100124-A1 HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-12-14 EP disclosed
CN-115427109-A Heterocyclic compounds as dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-12-02 CN disclosed
WO-2021211974-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2021-10-21 WO disclosed
WO-2021211974-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2021-10-21 WO disclosed
WO-2021156787-A1 HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-08-12 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 (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-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 ALDH1A1 166/4885MEN1 4605/4885KMT2A 4032/4885

“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.