SCHEMBL18576014

SCHEMBL18576014

COc1cc(C(O)c2csc(-c3ccccc3)n2)cc(OC)c1OCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 1/20 0.39
ECE1 P42892 2/20 0.38
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
KCNH2 Q12809 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL724402 0.87 EGFR (0.51) EGFRMAPTSMN1; SMN2MEN1NPC1
SCHEMBL17251706 0.77 HDAC3 (0.58) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL1684005 0.76 MAPT (0.50) EGFRMAPTSMN1; SMN2HDAC3HDAC1
SCHEMBL27888206 0.73 EGFR (0.47) EGFRMAPTSMN1; SMN2MEN1NPC1
SCHEMBL23734478 0.68 BRAF (0.45) MAPTSMN1; SMN2MEN1NPC1NFKB1
SCHEMBL6199287 0.68 KDM4E (0.56) MAPTSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL19929805 0.68 HDAC3 (0.54) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL8881538 0.67 KDM4E (0.44) MAPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL18562034 0.67 HDAC3 (0.58) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL724442 0.67 TSHR (0.44) SMN1; SMN2MEN1KMT2AHDAC3HDAC1

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
EP-3708164-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc (US) 2020-09-16 EP disclosed
EP-3139919-B1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS INC (US) 2020-06-03 EP disclosed
US-9981915-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-05-29 US disclosed
US-20180118693-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2018-05-03 US disclosed
US-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2017-03-02 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 (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-20180118693-A1 COMPOUNDS FOR TREATMENT OF CANCER TP53, TUBB1, TUBB6 EGFR 1415/4885MAPT 699/4885SMN1; SMN2 4252/4885
US-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER TP53, TUBB1, TUBB6 EGFR 1415/4885MAPT 699/4885SMN1; SMN2 4252/4885

“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.