SCHEMBL2466401

SCHEMBL2466401

Nc1ccc(Cl)cc1-c1ccc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.56
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 3/20 0.43
CYP3A4 P08684 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR1 P21554 1/20 0.42
CSF1R P07333 1/20 0.38
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.38
PDGFRB P09619 1/20 0.37
GFER P55789 1/20 0.36
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AURKA O14965 1/20 0.35

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
SCHEMBL7800798 0.81 PDPK1 (0.39) IDO1KMT2AMEN1TSHRCYP3A4
SCHEMBL24696515 0.79 MEN1 (0.46) KMT2AMEN1CNR1CSF1RPDGFRB
SCHEMBL30041042 0.79 MEN1 (0.46) KMT2AMEN1CNR1CSF1RPDGFRB
Hydrochloric Acid SCHEMBL8099675 0.79 PDPK1 (0.38) IDO1KMT2AMEN1TSHRCYP3A4
SCHEMBL7812193 0.78 GAA (0.44) IDO1KMT2AMEN1TSHRCYP3A4
SCHEMBL28855211 0.78 MEN1 (0.44) IDO1KMT2AMEN1CYP3A4ALDH1A1
SCHEMBL7808535 0.77 IMPDH2 (0.35) IDO1CNR1AURKAAURKBINCENP
SCHEMBL27082784 0.77 MAPT (0.46) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL21436436 0.76 IDO1 (0.44) IDO1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL11517368 0.75 TSHR (0.65) IDO1KMT2ATSHRCYP3A4SMN1; 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
US-20050059045-A1 Labraries of optimized cytochrome P450 enzymes and the optimized P450 enzymes CALIFORNIA INSITUTE OF TECHNOLOGY 2005-03-17 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 IDO1 119/4885KMT2A 751/4885MEN1 667/4885

“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.