SCHEMBL1626451

SCHEMBL1626451

CC(C)(C#N)c1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
RAPGEF3 O95398 3/20 0.40
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
SCN9A Q15858 1/20 0.32
BRAF P15056 1/20 0.32

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
SCHEMBL4573201 0.85 AR (0.38) ARRAPGEF3SCN10AALDH1A1RAPGEF4
SCHEMBL604108 0.82 TSHR (0.50) ARHTTNPC1SCN10AALDH1A1
SCHEMBL1626865 0.82 SCN10A (0.36) ARSCN10AALDH1A1MEN1KMT2A
SCHEMBL24747259 0.81 CASR (0.37) SCN10AALDH1A1MEN1KMT2AMAPT
SCHEMBL530151 0.78 HTT (0.42) RAPGEF3HTTRAB9AALDH1A1MEN1
SCHEMBL17157437 0.78 AR (0.38) ARHTTNPC1SCN10AALDH1A1
SCHEMBL604751 0.78 SCN10A (0.34) NPC1RAB9ASCN10AALDH1A1NPSR1
SCHEMBL22726812 0.78 SCN10A (0.37) SCN10AALDH1A1MEN1KMT2AMAPT
SCHEMBL2815460 0.78 TSHR (0.42) ARHTTNPC1SCN10AALDH1A1
SCHEMBL31347512 0.78 SCN10A (0.37) SCN10AALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 US disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 CN disclosed
US-7928139-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-04-19 US disclosed
US-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2010-02-25 US disclosed
US-7635715-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-12-22 US disclosed
EP-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-04-09 US disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 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-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF EGLN2, EGLN3, HIF1AN AR 1019/4885RAPGEF3 2643/4885HTT 2689/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN AR 1019/4885RAPGEF3 2643/4885HTT 2689/4885
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA AR 460/4885RAPGEF3 779/4885HTT 4353/4885

“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.