SCHEMBL3884667

SCHEMBL3884667

Nc1ccc(NCc2ccco2)c2sc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 6/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 4/20 0.43
TP53 P04637 1/20 0.43
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
HIF1A Q16665 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 4/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
PDE5A O76074 1/20 0.38
REN P00797 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL3886270 0.93 RAB9A (0.45) RAB9AKMT2ANPC1MAPTALDH1A1
SCHEMBL3884251 0.79 POLB (0.39) RAB9AKMT2ANPC1MAPTALDH1A1
SCHEMBL3873227 0.77 IDO1 (0.41) RAB9AKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3874982 0.75 NPC1 (0.39) RAB9AKMT2ANPC1MAPTSMN1; SMN2
SCHEMBL3887714 0.75 NPSR1 (0.41) RAB9AKMT2ANPC1MAPTALDH1A1
SCHEMBL3881414 0.75 LMNA (0.51) RAB9AKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3885461 0.75 MAPT (0.42) RAB9AKMT2ANPC1MAPTALDH1A1
SCHEMBL5713472 0.75 IDO1 (0.44) RAB9AKMT2AMAPTSMN1; SMN2TP53
SCHEMBL3877400 0.73 APP (0.40) RAB9AKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3876210 0.73 APP (0.43) RAB9AKMT2AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 RAB9A 4019/4885KMT2A 1681/4885NPC1 4617/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 RAB9A 4019/4885KMT2A 1681/4885NPC1 4617/4885

“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.