SCHEMBL7236339

SCHEMBL7236339

CNCCc1ccccc1.C[Al]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.95
ATM Q13315 1/20 0.95
L3MBTL1 Q9Y468 2/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
SIGMAR1 Q99720 3/20 0.65
TMEM97 Q5BJF2 1/20 0.58
CYP3A4 P08684 2/20 0.56
NPC1 O15118 1/20 0.56
KDM1A O60341 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
CYP2C8 P10632 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
IDO1 P14902 1/20 0.56
TSHR P16473 1/20 0.56

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
SCHEMBL19355275 0.97 TAAR1 (1.00) TAAR1ATML3MBTL1MEN1KMT2A
SCHEMBL1878 0.97 TAAR1 (1.00) TAAR1ATML3MBTL1MEN1KMT2A
SCHEMBL27896457 0.95 TAAR1 (0.95) TAAR1ATML3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL1696934 0.95 TAAR1 (0.95) TAAR1ATML3MBTL1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL19693169 0.95 TAAR1 (0.95) TAAR1ATML3MBTL1MEN1KMT2A
Fluoride Ion SCHEMBL28826041 0.93 TAAR1 (0.91) TAAR1ATML3MBTL1MEN1KMT2A
SCHEMBL28826039 0.91 TAAR1 (0.86) TAAR1ATML3MBTL1MEN1KMT2A
Diethylamine SCHEMBL7488588 0.87 TAAR1 (0.79) TAAR1ATML3MBTL1MEN1KMT2A
N-Benzylmethylamine SCHEMBL8723500 0.87 TAAR1 (0.79) TAAR1ATML3MBTL1MEN1KMT2A
Formic Acid SCHEMBL3537931 0.85 TAAR1 (0.76) TAAR1ATML3MBTL1MEN1KMT2A

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-6645989-B2 Antiinflammatory agents SMITHKLINE BEECHAM CORPORATION 2003-11-11 US disclosed
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US disclosed
US-6268370-B1 CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-07-31 US disclosed
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed
US-5686455-A Imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 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-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 TAAR1 3160/4885ATM 1370/4885L3MBTL1 3052/4885

“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.