SCHEMBL3085486

SCHEMBL3085486

Oc1ccc(Cl)cc1C=Cc1ccccc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.50
ABL1 P00519 1/20 0.49
ABCB1 P08183 1/20 0.49
BCR P11274 1/20 0.49
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.48
AR P10275 3/20 0.48
ALDH1A1 P00352 3/20 0.44
TAAR1 Q96RJ0 1/20 0.43
KDM4E B2RXH2 3/20 0.40
KDM4C Q9H3R0 1/20 0.40
HSD17B10 Q99714 5/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 2/20 0.39
APP P05067 2/20 0.39

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
SCHEMBL3085483 1.00 ERN1 (0.50) ERN1ABL1ABCB1BCRMAPT
SCHEMBL901262 0.82 ERN1 (0.53) ERN1ABL1ABCB1BCRMAPT
SCHEMBL901263 0.82 ERN1 (0.53) ERN1ABL1ABCB1BCRMAPT
SCHEMBL3094031 0.79 ALDH1A1 (0.59) ERN1ABL1ABCB1BCRMAPT
SCHEMBL7838928 0.79 ABL1 (0.53) ERN1ABL1ABCB1BCRMAPT
SCHEMBL13646956 0.79 ERN1 (0.50) ERN1ABL1ABCB1BCRMAPT
SCHEMBL3094017 0.79 ALDH1A1 (0.59) ERN1ABL1ABCB1BCRMAPT
SCHEMBL3284014 0.79 TRPA1 (0.60) ERN1ABL1ABCB1BCRMAPT
SCHEMBL3284015 0.79 TRPA1 (0.60) ERN1ABL1ABCB1BCRMAPT
SCHEMBL904018 0.76 ERN1 (0.59) ERN1ABL1ABCB1BCRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227623-B2 Process for the preparation of asenapine and intermediate products used in said process MSD OSS B.V. (NL) 2012-07-24 US disclosed
US-20100234618-A1 Process for the Preparation of Asenapine and Intermediate Products Used in Said Process N.V. ORGANON (NL) 2010-09-16 US disclosed
US-7750167-B2 Process for the preparation of asenapine and intermediate products used in said process N.V. ORGANON (NL) 2010-07-06 US disclosed
EP-2044076-B1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS. ORGANON NV (NL) 2009-10-14 EP disclosed
EP-2044076-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS. N.V. Organon (NL) 2009-04-08 EP disclosed
US-20080009619-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS N.V. ORGANON (NL) 2008-01-10 US disclosed
WO-2008003460-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS. N.V. ORGANON (NL) 2008-01-10 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 (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-20080009619-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS DHPS, CYP3A5, PNMT ERN1 3739/4885ABL1 4393/4885ABCB1 778/4885
US-20100234618-A1 Process for the Preparation of Asenapine and Intermediate Products Used in Said Process DHPS, CYP3A5, PNMT ERN1 3739/4885ABL1 4393/4885ABCB1 778/4885

“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.