SCHEMBL19387705

SCHEMBL19387705

CCNCCOCCNC(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.33
HTR1B P28222 2/20 0.33
TP53 P04637 1/20 0.30
ADRB2 P07550 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL24673657 0.98 KDM4E (0.38) KDM4ECYP2C19CYP1A2CYP2D6POLB
SCHEMBL19749146 0.98 KDM4E (0.38) KDM4ECYP2C19CYP1A2CYP2D6POLB
SCHEMBL18773530 0.98 KDM4E (0.38) KDM4ECYP2C19CYP1A2CYP2D6POLB
SCHEMBL21106579 0.91 CYP2C19 (0.37) KDM4ECYP2C19CYP1A2CYP2D6POLB
SCHEMBL20812075 0.90 CYP2C19 (0.41) KDM4ECYP2C19CYP1A2CYP2D6POLB
SCHEMBL10092557 0.85 KDM4E (0.42) KDM4ECYP2C19CYP1A2CYP2D6POLB
SCHEMBL22861953 0.84 HTT (0.35) KDM4ECYP2C19CYP1A2CYP2D6HTT
SCHEMBL22930120 0.83 KDM4E (0.44) KDM4ECYP2C19CYP1A2CYP2D6POLB
SCHEMBL22837632 0.83 KDM4E (0.44) KDM4ECYP2C19CYP1A2CYP2D6POLB
SCHEMBL18908660 0.83 KDM4E (0.44) KDM4ECYP2C19CYP1A2CYP2D6POLB

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
US-20220119416-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-21 US disclosed
US-20210221826-A1 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-22 US disclosed
US-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER CELLIX BIO PRIVATE LIMITED (IN) 2019-09-26 US disclosed
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2018-06-14 US disclosed
US-9771355-B2 Compositions and methods for the treatment of epilepsy and neurological disorders CELLIX BIO PRIVATE LIMITED (IN) 2017-09-26 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 (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-20210221826-A1 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 KDM4E 524/4885CYP2C19 3646/4885CYP1A2 2507/4885
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS KDM4E 4760/4885CYP2C19 496/4885CYP1A2 708/4885
US-20220119416-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 KDM4E 524/4885CYP2C19 3646/4885CYP1A2 2507/4885
US-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER SI, HBG2, HBG1 KDM4E 3790/4885CYP2C19 129/4885CYP1A2 229/4885

“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.