SCHEMBL685489

SCHEMBL685489

CNCc1ccccc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.42
SLC6A2 P23975 5/20 0.42
SLC6A3 Q01959 5/20 0.42
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HTR2A P28223 3/20 0.40
IFNAR1 P17181 1/20 0.40
GAA P10253 2/20 0.39
MCL1 Q07820 1/20 0.39
CA2 P00918 1/20 0.38
POLB P06746 2/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
PKM P14618 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL16066023 0.83 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3LTA4HALDH1A1
SCHEMBL24246243 0.83 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRTDP1GAA
SCHEMBL19300835 0.82 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3LTA4HALDH1A1
SCHEMBL5435016 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRTDP1GAA
SCHEMBL514804 0.81 IDO1 (0.50) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL13552274 0.81 MAPT (0.44) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL24938827 0.79 GAA (0.44) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL25377091 0.79 IDO1 (0.52) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL2909758 0.79 TAAR1 (0.55) SLC6A2ALDH1A1KDM4ETSHRTDP1
SCHEMBL31265560 0.78 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3LTA4HALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125737-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-06 WO disclosed
US-10316022-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-9988386-B2 Compounds for treatment of diseases of abnormal angiogenesis or aberrant growth factors and uses thereof Kata Pharmaceuticals, Inc. (US) 2018-06-05 US disclosed
US-20180037573-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 US disclosed
US-20180037572-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 US disclosed
US-9802922-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9802922-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-20170246310-A1 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC. (CA) 2017-08-31 US disclosed
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2017-05-11 US disclosed
US-20160137646-A1 Novel Compounds and Uses Thereof KALA PHARMACEUTICALS, INC. (US) 2016-05-19 US disclosed
US-20160060264-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2016-03-03 US disclosed
US-20160060264-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2016-03-03 US disclosed
US-9212145-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-9212145-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
WO-2015095953-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2015-07-02 WO disclosed
US-20150072986-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2015-03-12 US disclosed
US-20150072986-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2015-03-12 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 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 (10 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-20150072986-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 SLC6A4 4289/4885SLC6A2 4308/4885SLC6A3 3234/4885
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 SLC6A4 311/4885SLC6A2 316/4885SLC6A3 397/4885
US-20170246310-A1 VAR2CSA-DRUG CONJUGATES VARS1, GUSB, VAV1 SLC6A4 1100/4885SLC6A2 188/4885SLC6A3 261/4885
US-20160137646-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA SLC6A4 3552/4885SLC6A2 4335/4885SLC6A3 3579/4885
US-10316022-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 SLC6A4 4289/4885SLC6A2 4308/4885SLC6A3 3234/4885
US-20180037572-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 SLC6A4 4289/4885SLC6A2 4308/4885SLC6A3 3234/4885
US-20180037573-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 SLC6A4 4289/4885SLC6A2 4308/4885SLC6A3 3234/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 SLC6A4 4847/4885SLC6A2 4880/4885SLC6A3 4579/4885
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 SLC6A4 4289/4885SLC6A2 4308/4885SLC6A3 3234/4885
US-20160060264-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 SLC6A4 4289/4885SLC6A2 4308/4885SLC6A3 3234/4885

“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.