SCHEMBL16639675

SCHEMBL16639675

CC(C)c1ccc2nc(C(C)C)c(C(C)C)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SCN4A P35499 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TYR P14679 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
LMNA P02545 2/20 0.39
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
GLP1R P43220 2/20 0.37
GAA P10253 2/20 0.36
HTT P42858 2/20 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
SCHEMBL2706284 0.89 NPC1 (0.50) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL12938128 0.89 NPC1 (0.50) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL20049121 0.87 NPC1 (0.40) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL20047578 0.84 RAB9A (0.38) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL17460672 0.83 NPC1 (0.46) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL18367038 0.83 NQO2 (0.54) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL15279625 0.81 NQO2 (0.56) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL12965808 0.79 NQO2 (0.61) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL2756764 0.79 NQO2 (0.61) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL18463005 0.78 NPC1 (0.42) NPC1RAB9ASCN4ASMN1; SMN2TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169250-A1 COVALENT LINKERS IN ANTIBODY-DRUG CONJUGATES AND METHODS OF MAKING AND USING THE SAME REMEGEN CO., LTD. (CN) 2018-06-21 US disclosed
US-20180085471-A1 DRUG-CONJUGATES, CONJUGATION METHODS, AND USES THEREOF SORRENTO THERAPEUTICS, INC. 2018-03-29 US disclosed
US-20180055948-A1 Covalent Linkers in Antibody-Drug Conjugates and Methods of Making and Using the Same REMEGEN CO., LTD. (CN) 2018-03-01 US disclosed
US-9884127-B2 Drug-conjugates, conjugation methods, and uses thereof CONCORTIS BIOSYSTEMS, CORP. (US) 2018-02-06 US disclosed
US-9801951-B2 Drug-conjugates, conjugation methods, and uses thereof CONCORTIS BIOSYSTEMS, CORP. (US) 2017-10-31 US disclosed
US-9801951-B2 Drug-conjugates, conjugation methods, and uses thereof CONCORTIS BIOSYSTEMS, CORP. (US) 2017-10-31 US disclosed
US-20150141646-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof Concortis Biosystems, Corp., a wholly owned subsidary of Sorrento Therapeutics, Inc, (US) 2015-05-21 US disclosed
US-20150105540-A1 DRUG-CONJUGATES WITH A TARGETING MOLECULE AND TWO DIFFERENT DRUGS SORRENTO THERAPEUTICS INC. (US) 2015-04-16 US disclosed
US-20150105539-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof Concortis Biosystems, Corp., a wholly owned Subsidiary of Sorrento Therapeutics, Inc. (US) 2015-04-16 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 (6 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-20180085471-A1 DRUG-CONJUGATES, CONJUGATION METHODS, AND USES THEREOF ABCG2, UGT2B7, UGT1A9 NPC1 330/4885RAB9A 764/4885SCN4A 4641/4885
US-20180169250-A1 COVALENT LINKERS IN ANTIBODY-DRUG CONJUGATES AND METHODS OF MAKING AND USING THE SAME DHFR, FCGR1A, ADCY4 NPC1 4243/4885RAB9A 2196/4885SCN4A 3803/4885
US-20150141646-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof ABCG2, UGT2B7, UGT1A9 NPC1 330/4885RAB9A 764/4885SCN4A 4641/4885
US-20180055948-A1 Covalent Linkers in Antibody-Drug Conjugates and Methods of Making and Using the Same DHFR, FCGR1A, ADCY4 NPC1 4243/4885RAB9A 2196/4885SCN4A 3803/4885
US-20150105539-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof PAICS, CES2, DNPEP NPC1 635/4885RAB9A 1067/4885SCN4A 4702/4885
US-20150105540-A1 DRUG-CONJUGATES WITH A TARGETING MOLECULE AND TWO DIFFERENT DRUGS ERBB2, ABCG2, DYNLL2 NPC1 2589/4885RAB9A 627/4885SCN4A 3771/4885

“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.