SCHEMBL280624

SCHEMBL280624

CCC(C)c1ccncc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.38
LATS1 O95835 1/20 0.38
LATS2 Q9NRM7 1/20 0.38
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RORC P51449 1/20 0.33
TRPA1 O75762 1/20 0.33
RPS6KA3 P51812 1/20 0.33
AOC1 P19801 2/20 0.33
AOC3 Q16853 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL12512791 1.00 TSHR (0.39) TSHRHTTLATS1LATS2RAB9A
SCHEMBL13848825 1.00 TSHR (0.39) TSHRHTTLATS1LATS2RAB9A
SCHEMBL18672455 0.84 TSHR (0.39) TSHRHTTLATS1LATS2RAB9A
SCHEMBL19250962 0.84 TSHR (0.39) TSHRHTTLATS1LATS2RAB9A
SCHEMBL19133216 0.82 CYP1A2 (0.37) LATS1LATS2TRPA1RPS6KA3CYP1A2
SCHEMBL24481241 0.80 TSHR (0.44) TSHRHTTRAB9ANPC1KMT2A
SCHEMBL18557486 0.80 TSHR (0.39) TSHRHTTRAB9ANPC1KMT2A
SCHEMBL2892375 0.79 GAA (0.41) LATS1LATS2ALDH1A1SMN1; SMN2TRPA1
SCHEMBL2737302 0.79 RPS6KA3 (0.43) LATS1LATS2KMT2ATRPA1RPS6KA3
SCHEMBL20940108 0.78 RPS6KA3 (0.41) TSHRHTTLATS1LATS2RAB9A

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-9708328-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2017-07-18 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 US disclosed
US-20110129440-A1 Heterocyclic Urea and Thiourea Derivatives and Methods of Use Thereof SCHERING CORPORATION 2011-06-02 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 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 (5 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX TSHR 3897/4885HTT 3702/4885LATS1 3411/4885
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 TSHR 970/4885HTT 3156/4885LATS1 3870/4885
US-20110129440-A1 Heterocyclic Urea and Thiourea Derivatives and Methods of Use Thereof MTOR, PRKDC, PRKACA TSHR 1550/4885HTT 92/4885LATS1 138/4885
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 TSHR 1939/4885HTT 1765/4885LATS1 3460/4885
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 TSHR 989/4885HTT 4503/4885LATS1 4349/4885

“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.