SCHEMBL4098463

SCHEMBL4098463

OCCc1ccc(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CRHBP P24387 1/20 0.40

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
SCHEMBL29673153 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL27565478 0.88 CA2 (0.42) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL16961564 0.83 SLC6A4 (0.37) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL29673143 0.83 SLC6A4 (0.37) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL30303054 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL697564 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL18263307 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL1570497 0.79 TAAR1 (0.52) KMT2AALOX15HSD17B10CRHBPCRHR2
SCHEMBL3121724 0.79 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL10122957 0.79 CYP2C19 (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188032-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND USES THEREOF BNH RESEARCH CO., LTD. (KR) 2025-06-12 US disclosed
EP-4501910-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND USES THEREOF BNH Research Co., Ltd. (KR) 2025-02-05 EP disclosed
WO-2022127827-A1 KRASG12C PROTEIN MUTATION INHIBITOR AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 上海维申医药有限公司 2022-06-23 WO disclosed
CN-114644631-A KRAS G12C protein mutation inhibitor, preparation method thereof, pharmaceutical composition and application thereof 上海维申医药有限公司 2022-06-21 CN disclosed
US-10000463-B2 Halogen-substituted heterocyclic compound UBE INDUSTRIES, LTD. (JP) 2018-06-19 US disclosed
US-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 US disclosed
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor SMITHKLINE BEECHMA CORPORATION (US) 2009-04-09 US disclosed
EP-1851204-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SmithKline Beecham Corporation (US) 2007-11-07 EP disclosed
WO-2006091592-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2006-08-31 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 (4 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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 ALDH1A1 1997/4885MEN1 3249/4885KMT2A 2589/4885
US-10000463-B2 Halogen-substituted heterocyclic compound LPAR1, LPAR4, LPAR2 ALDH1A1 1964/4885MEN1 3933/4885KMT2A 1384/4885
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 ALDH1A1 1615/4885MEN1 1753/4885KMT2A 4678/4885
US-20250188032-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND USES THEREOF NLN, GRIN1, GRIN2A ALDH1A1 1563/4885MEN1 3053/4885KMT2A 687/4885

“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.