SCHEMBL3605632

SCHEMBL3605632

Cc1ccc2[nH]c(C(=O)N[C@@H]3CCNC3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.55
CYP1A2 P05177 1/20 0.55
MLLT1 Q03111 1/20 0.53
TP53 P04637 2/20 0.52
POLB P06746 1/20 0.52
PIN1 Q13526 1/20 0.51
SMYD3 Q9H7B4 2/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PYGL P06737 1/20 0.49
PYGM P11217 1/20 0.49
KDR P35968 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT3 P36888 1/20 0.47
AKR1C3 P42330 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3605634 1.00 GHSR (0.55) GHSRCYP1A2MLLT1TP53POLB
Trifluoroacetic Acid SCHEMBL3612661 0.92 GHSR (0.52) GHSRCYP1A2MLLT1TP53POLB
SCHEMBL3609215 0.85 SMYD3 (0.69) MLLT1SMYD3RXFP1PYGLPYGM
SCHEMBL3607417 0.85 MLLT1 (0.53) GHSRMLLT1POLBSMYD3PYGL
SCHEMBL3603066 0.85 SMYD3 (0.69) MLLT1SMYD3RXFP1PYGLPYGM
SCHEMBL3610534 0.85 MLLT1 (0.73) GHSRMLLT1SMYD3PYGLPYGM
SCHEMBL3610530 0.85 MLLT1 (0.73) GHSRMLLT1SMYD3PYGLPYGM
SCHEMBL3607418 0.85 MLLT1 (0.53) GHSRMLLT1POLBSMYD3PYGL
SCHEMBL3603062 0.85 SMYD3 (0.69) MLLT1SMYD3RXFP1PYGLPYGM
SCHEMBL3608213 0.85 MLLT1 (0.53) GHSRMLLT1POLBSMYD3PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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 (1 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT GHSR 2639/4885CYP1A2 234/4885MLLT1 2603/4885

“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.