SCHEMBL17021971

SCHEMBL17021971

CC(C)(C)CN1CCc2c(sc(NC(=O)Nc3ccc4ccccc4c3)c2C(N)=O)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.62
MEN1 O00255 3/20 0.62
USP2 O75604 2/20 0.62
KDM4E B2RXH2 2/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
HTT P42858 1/20 0.62
ATM Q13315 1/20 0.62
KCNH2 Q12809 2/20 0.61
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
PSMD14 O00487 2/20 0.53
RAD52 P43351 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
POLB P06746 1/20 0.48
PPARG P37231 1/20 0.48

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
Hydrochloric Acid SCHEMBL17006444 0.99 KMT2A (0.62) KMT2AMEN1USP2KDM4ELMNA
SCHEMBL17006419 0.90 KMT2A (0.75) KMT2AMEN1USP2KDM4ELMNA
SCHEMBL17021994 0.88 KMT2A (0.63) KMT2AMEN1USP2KDM4ELMNA
Hydrochloric Acid SCHEMBL17006334 0.87 KMT2A (0.65) KMT2AMEN1USP2KDM4ELMNA
SCHEMBL19902053 0.86 KCNH2 (0.68) KMT2AMEN1USP2KDM4ELMNA
SCHEMBL17021975 0.86 KCNH2 (0.80) KMT2AMEN1USP2KDM4ELMNA
Hydrochloric Acid SCHEMBL17006405 0.85 KCNH2 (0.81) KMT2AMEN1USP2KDM4ELMNA
SCHEMBL17021976 0.85 KMT2A (0.59) KMT2AMEN1USP2KDM4ELMNA
SCHEMBL17022022 0.84 KMT2A (0.58) KMT2AMEN1USP2KDM4ELMNA
Hydrochloric Acid SCHEMBL17006443 0.84 KMT2A (0.59) KMT2AMEN1USP2KDM4ELMNA

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-9902738-B2 Compounds and methods for preventing, treating and/or protecting against sensory hair cell death UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-02-27 US disclosed
EP-2900674-B1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-05-31 EP disclosed
US-20160326186-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH FRED HUTCHINSON CANCER CENTER 2016-11-10 US disclosed
US-9416141-B2 Compounds and methods for preventing, treating and/or protecting against sensory hair cell death UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-08-16 US disclosed
US-20150232476-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2015-08-20 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-20160326186-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH BAX, CASP3, BCL2 KMT2A 4772/4885MEN1 4393/4885USP2 1326/4885
US-20150232476-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH BAX, CASP3, BCL2 KMT2A 4772/4885MEN1 4393/4885USP2 1326/4885

“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.