SCHEMBL3097012

SCHEMBL3097012

CC(=O)Oc1ccccc1/C=C/c1cc(Cl)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
MAPT P10636 7/20 0.54
LMNA P02545 5/20 0.54
HPGD P15428 5/20 0.54
KDM4E B2RXH2 4/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL3097025 1.00 MEN1 (0.54) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL2005668 0.89 KMT2A (0.60) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL2005664 0.89 KMT2A (0.60) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL13647052 0.84 MEN1 (0.54) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL1603612 0.81 MEN1 (0.60) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL13646963 0.80 MEN1 (0.61) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL12196952 0.78 MEN1 (0.60) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL10350792 0.76 KMT2A (0.56) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL3329377 0.76 ABCB11 (0.46) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL14735933 0.76 HSD11B1 (0.46) MEN1KMT2AMAPTKDM4ENPC1

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 16 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-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-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-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-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
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
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
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
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
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 MEN1 4096/4885KMT2A 1335/4885MAPT 1521/4885
US-20100234618-A1 Process for the Preparation of Asenapine and Intermediate Products Used in Said Process DHPS, CYP3A5, PNMT MEN1 4096/4885KMT2A 1335/4885MAPT 1521/4885

“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.