SCHEMBL3604347

SCHEMBL3604347

Cc1c(C(=O)N[C@@H]2CCNC2)[nH]c2ccc(Cl)cc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.63
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
THRB P10828 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
EGFR P00533 3/20 0.49
CDK2 P24941 2/20 0.48
CNR1 P21554 2/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.44
JAK2 O60674 1/20 0.44
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL3604351 1.00 PTGS2 (0.63) PTGS2MAPTLMNATHRBSMN1; SMN2
SCHEMBL3610471 0.93 PTGS2 (0.67) PTGS2MAPTLMNATHRBSMN1; SMN2
SCHEMBL3610473 0.93 PTGS2 (0.67) PTGS2MAPTLMNATHRBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3602182 0.93 PTGS2 (0.56) PTGS2MAPTLMNATHRBSMN1; SMN2
SCHEMBL3609809 0.88 ADORA1 (0.53) PTGS2MAPTLMNASMN1; SMN2MEN1
SCHEMBL3602954 0.88 ADORA1 (0.53) PTGS2MAPTLMNASMN1; SMN2MEN1
SCHEMBL3602952 0.88 ADORA1 (0.53) PTGS2MAPTLMNASMN1; SMN2MEN1
SCHEMBL3613688 0.83 MAOA (0.56) PTGS2MAPTLMNASMN1; SMN2MEN1
SCHEMBL3615614 0.83 MAOA (0.56) PTGS2MAPTLMNASMN1; SMN2MEN1
SCHEMBL3613693 0.83 MAOA (0.56) PTGS2MAPTLMNASMN1; SMN2MEN1

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 PTGS2 356/4885MAPT 3376/4885LMNA 3287/4885

“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.