SCHEMBL10197904

SCHEMBL10197904

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnn(N)n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.40
▸ PARP10 Q53GL7 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ADAMTS4 O75173 1/20 0.35
▸ CYP19A1 P11511 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SYK P43405 4/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34

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
SCHEMBL480282 0.90 NPC1 (0.45) ALOX5APPARP10NPC1RAB9ASMN1; SMN2
SCHEMBL14942350 0.81 KMT2A (0.45) ALOX5APPARP10LMNATP53ADAMTS4
Ammonia Solution, Strong SCHEMBL480417 0.81 KMT2A (0.44) ALOX5APPARP10LMNATP53ADAMTS4
SCHEMBL2246846 0.80 NPC1 (0.53) ALOX5APPARP10NPC1RAB9ASMN1; SMN2
SCHEMBL2245019 0.79 NPC1 (0.47) PARP10NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL480264 0.79 KDM4E (0.42) ALOX5APPARP10NPC1RAB9ASMN1; SMN2
SCHEMBL2795215 0.76 CYP11B1 (0.43) ALOX5APPARP10SMN1; SMN2CYP19A1KDM4E
SCHEMBL2996834 0.75 ADAMTS4 (0.46) ALOX5APPARP10NPC1RAB9ASMN1; SMN2
SCHEMBL13248365 0.75 MEN1 (0.56) PARP10NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14396917 0.75 KDM4E (0.40) ALOX5APPARP10SMN1; SMN2ADAMTS4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 — — EP disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 — — US disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 — — US disclosed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 — — 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 (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-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 14/4885PARP10 988/4885NPC1 643/4885

“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.

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