SCHEMBL2466646

SCHEMBL2466646

CC(C)c1nnc(-c2cccc(Br)c2)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.63
NPC1 O15118 7/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
TSHR P16473 3/20 0.63
TP53 P04637 2/20 0.63
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 3/20 0.61
CYP1A2 P05177 1/20 0.61
KDM4E B2RXH2 4/20 0.60
MAPT P10636 4/20 0.60
GAA P10253 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
AAK1 Q2M2I8 1/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45

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
SCHEMBL12306754 0.86 AAK1 (0.50) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL6364718 0.82 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL16635836 0.81 MECP2 (0.63) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL12306749 0.80 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL15271333 0.80 DGAT1 (0.55) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL823534 0.79 ALDH1A1 (0.65) RAB9ANPC1SMN1; SMN2TSHRKMT2A
SCHEMBL23603989 0.78 NOTUM (0.54) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL7412244 0.78 RAB9A (0.71) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL4651918 0.78 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL21805208 0.76 HDAC6 (0.43) RAB9ANPC1SMN1; SMN2TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8475939-B2 m-terphenyl compound derivatives and application for organic light emitting diode NATIONAL TSING HUA UNIVERSITY (TW) 2013-07-02 US disclosed
CN-102485716-A M-terphenyl derivative and application thereof in organic light-emitting diode CHIEN-HONG CHENG 2012-06-06 CN disclosed
US-20110220880-A1 m-TERPHENYL COMPOUND DERIVATIVES AND APPLICATION FOR ORGANIC LIGHT EMITTING DIODE E INK HOLDINGS INC. (TW) 2011-09-15 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 (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-20110220880-A1 m-TERPHENYL COMPOUND DERIVATIVES AND APPLICATION FOR ORGANIC LIGHT EMITTING DIODE CLTB, CYBA, C5 RAB9A 2484/4885NPC1 425/4885SMN1; SMN2 4714/4885

“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.