SCHEMBL16147266

SCHEMBL16147266

COC(=O)c1cc2c(cc1OC)CN(Cc1cccc(-c3nc4ccccc4[nH]3)c1)C(C)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MMP2 P08253 3/20 0.41
MMP13 P45452 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41

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
SCHEMBL16148299 0.93 KMT2A (0.43) KMT2AKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL16147347 0.90 PIM1 (0.44) KMT2AKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL16147482 0.88 PIM1 (0.43) KMT2AKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL16147390 0.86 SMN1; SMN2 (0.50) KMT2AKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL16148685 0.85 PIM1 (0.40) KMT2AKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL16148316 0.82 PIM1 (0.38) KMT2AKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL16147923 0.82 NPC1 (0.46) KMT2AKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL16148823 0.81 PIM1 (0.41) KMT2AKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL21174659 0.80 KDM4E (0.53) KMT2AKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL16148105 0.80 PIM1 (0.47) KMT2AKDM4ESMN1; SMN2MAPTMEN1

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-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-04-14 US disclosed
EP-3514147-A1 STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2019-07-24 EP disclosed
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 US disclosed
US-9694005-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-04 US disclosed
EP-2991644-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2016-03-09 EP disclosed
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-11 US disclosed
WO-2014165815-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-09 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 (3 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-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 KMT2A 3574/4885KDM4E 1575/4885SMN1; SMN2 106/4885
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 KMT2A 3574/4885KDM4E 1575/4885SMN1; SMN2 106/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 KMT2A 3574/4885KDM4E 1575/4885SMN1; SMN2 106/4885

“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.