SCHEMBL3165018

SCHEMBL3165018

S=c1[nH]ccn1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DBH P09172 6/20 0.53
ALDH1A1 P00352 5/20 0.53
POLB P06746 2/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3159524 0.82 CHRNB2 (0.39) DBHALDH1A1POLBKMT2AATM
SCHEMBL11079680 0.69 DBH (1.00) DBHALDH1A1POLBKMT2AATM
SCHEMBL3165838 0.69 LPO (0.40) ALDH1A1TSHRCYP1A2SMN1; SMN2
SCHEMBL3179003 0.69 RAB9A (0.49) ALDH1A1KMT2AATMHPGDSMN1; SMN2
SCHEMBL3169016 0.66 ALDH1A1 (0.50) DBHALDH1A1KMT2ATSHRHPGD
SCHEMBL945487 0.66 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL27882191 0.66 ALDH1A1 (0.43) ALDH1A1KMT2AL3MBTL1TSHRHPGD
SCHEMBL27792150 0.65 TSHR (0.50) ALDH1A1KMT2AL3MBTL1TSHRCYP1A2
SCHEMBL8151927 0.64 SMN1; SMN2 (0.54) ALDH1A1TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL4912652 0.64 IDO1 (0.42) ALDH1A1POLBL3MBTL1TSHRSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010049-A1 Novel Tyrosinase inhibitors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-01-14 US claimed
US-20100010049-A1 Novel Tyrosinase inhibitors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-01-14 US disclosed
EP-2041095-A1 NOVEL TYROSINASE INHIBITORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2009-04-01 EP disclosed
WO-2008006824-A1 NOVEL TYROSINASE INHIBITORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-17 WO disclosed
WO-2007039821-A2 NOVEL INHIBITORS OF TYROSINASE, THEIR METHOD OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-04-12 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-20100010049-A1 Novel Tyrosinase inhibitors and pharmaceutical/cosmetic applications thereof TYR, MITF, MAOA DBH 204/4885ALDH1A1 69/4885POLB 525/4885

“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.