SCHEMBL46546

SCHEMBL46546

Cc1ccc(/C=C2\SC(=O)N(C)C2=O)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.57
ALDH1A1 P00352 13/20 0.57
KMT2A Q03164 12/20 0.57
KDM4E B2RXH2 8/20 0.57
PKM P14618 7/20 0.57
HTT P42858 5/20 0.57
MEN1 O00255 11/20 0.56
POLB P06746 7/20 0.56
TDP1 Q9NUW8 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
RECQL P46063 5/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MCL1 Q07820 2/20 0.51
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
GAA P10253 1/20 0.51
ALPG P10696 1/20 0.51
TNNI3 P19429 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51

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
SCHEMBL8190455 0.85 MAPT (0.66) MAPTALDH1A1KMT2AKDM4EPKM
SCHEMBL8190456 0.85 MAPT (0.66) MAPTALDH1A1KMT2AKDM4EPKM
SCHEMBL8191326 0.85 MAPT (0.66) MAPTALDH1A1KMT2AKDM4EPKM
SCHEMBL17833968 0.81 KMT2A (0.65) MAPTALDH1A1KMT2AKDM4EPKM
SCHEMBL12177202 0.80 ALDH1A1 (0.60) MAPTALDH1A1KMT2AKDM4EPKM
SCHEMBL2302382 0.79 KMT2A (0.62) MAPTALDH1A1KMT2AKDM4EPKM
SCHEMBL2302380 0.79 KMT2A (0.62) MAPTALDH1A1KMT2AKDM4EPKM
SCHEMBL12177733 0.79 RAB9A (0.77) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL12177529 0.76 ALDH1A1 (0.59) MAPTALDH1A1KMT2AKDM4EPKM
SCHEMBL12177526 0.74 MAP3K5 (0.60) MAPTALDH1A1KMT2AKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243821-B1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 GB006 INC (US) 2020-02-26 EP disclosed
US-10239871-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2019-03-26 US disclosed
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 US disclosed
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 US disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 US disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 US disclosed
WO-2012005800-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS, INC. (US) 2012-01-12 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 (4 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-10239871-B2 Compounds and methods for regulating integrins ITGA2, ITGB2, ITGA2B MAPT 4654/4885ALDH1A1 1927/4885KMT2A 2195/4885
US-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM MAPT 4318/4885ALDH1A1 473/4885KMT2A 2448/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B MAPT 4654/4885ALDH1A1 1927/4885KMT2A 2195/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B MAPT 4654/4885ALDH1A1 1927/4885KMT2A 2195/4885

“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.