SCHEMBL6432858

SCHEMBL6432858

O=C(Cc1ccccc1)c1ncc[nH]1.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SRD5A2 P31213 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.40
CTBP2 P56545 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
SCHEMBL6037395 0.98 KMT2A (0.47) KMT2ATAAR1RAB9AGAACES2
SCHEMBL6981241 0.82 RAB9A (0.41) KMT2ARAB9ANPC1L3MBTL1
SCHEMBL7342304 0.82 BTK (0.39) KMT2ATAAR1MAPT
SCHEMBL27702200 0.80 KMT2A (0.40) KMT2AIDO1
SCHEMBL6037444 0.80 KMT2A (0.46) KMT2ATAAR1GAAMAPTSMN1; SMN2
SCHEMBL31752166 0.80 NPC1 (0.54) RAB9AGAACES1NPC1SMN1; SMN2
SCHEMBL29938710 0.79 CYP26A1 (0.46) KMT2ARAB9AGAAAKR1B1NPC1
SCHEMBL2421709 0.78 KMT2A (0.42) KMT2ATAAR1RAB9ANPC1MAPT
SCHEMBL7341367 0.78 CYP2D6 (0.35) KMT2ATAAR1RAB9AGAACES1
SCHEMBL11211322 0.78 TAAR1 (0.47) KMT2ATAAR1RAB9AGAACES2

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
EP-1090011-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 US disclosed
US-6410534-B1 ANTICANCER AGENTS MERCK & CO., INC. 2002-06-25 US disclosed
US-20020022633-A1 Inhibitors of prenyl-protein transferase WILLIAMS THERESA M (US) 2002-02-21 US disclosed
WO-2002002108-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-01-10 WO disclosed
EP-1090011-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO disclosed
WO-2000025789-A1 A METHOD OF TREATING ENDOMETRIOSIS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
WO-2000001701-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 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 (2 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-20030220241-A1 Method of treating cancer ACP3, PSAT1, LCAT KMT2A 1240/4885TAAR1 4758/4885RAB9A 2619/4885
US-20020022633-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, FNTB KMT2A 2088/4885TAAR1 4813/4885RAB9A 484/4885

“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.