SCHEMBL96147

SCHEMBL96147

[CH2]c1ccc(OC)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
GAA P10253 2/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACHE P22303 1/20 0.43
TTR P02766 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL95915 0.82 GAA (0.43) NPC1GAAALDH1A1MAPTMEN1
SCHEMBL5540628 0.81 SLC6A4 (0.40) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL2092494 0.79 PTGS2 (0.46) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL7183499 0.78 CYP2C19 (0.33) CYP2C19S1PR4
SCHEMBL27090 0.78 CA2 (0.54) GAAALDH1A1ACHEHPGDMAPK1
SCHEMBL1192340 0.77 MAPT (0.50) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL4777646 0.77 CSNK2A1 (0.56) MEN1KMT2ASMN1; SMN2MAPK1LMNA
SCHEMBL196490 0.76 TTR (0.62) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL29687129 0.76 TTR (0.62) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL12326172 0.76 PTGS2 (0.53) NPC1GAAALDH1A1MEN1KMT2A

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 225 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024104384-A1 INDENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS NUCMITO PHARMACEUTICALS CO. LTD. (CN) 2024-05-23 WO claimed
CN-107787321-B Novel5-HT2Antagonists 安娜玛有限公司 2021-10-01 CN claimed
EP-3310762-B1 NOVEL 5-HT2 ANTAGONISTS ANAMAR AB (SE) 2020-08-05 EP claimed
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 US claimed
US-10544103-B2 5-HT2 antagonists ANAMAR AB (SE) 2020-01-28 US claimed
US-20180362475-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-12-20 US claimed
US-20180155292-A1 NOVEL 5-HT2 ANTAGONISTS ANAMAR AB (SE) 2018-06-07 US claimed
EP-3310762-A1 NOVEL 5-HT2 ANTAGONISTS Anamar AB (SE) 2018-04-25 EP claimed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
EP-3217982-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2017-09-20 EP claimed
EP-0735819-B1 CRYPTOPHYCINS UNIV HAWAII (US) 2001-07-11 EP claimed
EP-0830136-A4 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIV HAWAII (US) 2001-01-24 EP claimed
US-6013626-A TO INHIBIT THE PROLIFERATION OF MAMMALIAN CELLS; ANTITUMOR AGENTS THE UNIVERSITY OF HAWAII (US) 2000-01-11 US claimed
CN-1183726-A Synthetic cryptophycins UNIV HAWAII (US) 1998-06-03 CN claimed
EP-0830136-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1998-03-25 EP claimed
JP-H09510436-A 1997-10-21 JP claimed
EP-0735819-A4 NEW CRYPTOPHYCINS UNIV HAWAII (US) 1997-03-19 EP claimed
WO-1996040184-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1996-12-19 WO claimed
EP-0735819-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1996-10-09 EP claimed
WO-1995017093-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1995-06-29 WO claimed

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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 RAB9A 4069/4885NPC1 1194/4885GAA 2647/4885
US-20180362475-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 RAB9A 4069/4885NPC1 1194/4885GAA 2647/4885
US-10544103-B2 5-HT2 antagonists HTR2B, HTR2C, HTR2A RAB9A 2274/4885NPC1 3658/4885GAA 4672/4885
US-20180155292-A1 NOVEL 5-HT2 ANTAGONISTS HTR2B, TPH2, HTR2C RAB9A 2314/4885NPC1 3628/4885GAA 4735/4885

“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.