SCHEMBL13660713

SCHEMBL13660713

Clc1nccc2c1NC(CNCc1ccco1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4A O75164 2/20 0.38
KDM4B O94953 2/20 0.38
KDM5C P41229 2/20 0.38
KDM5B Q9UGL1 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
HTT P42858 1/20 0.37
DNMT1 P26358 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM2 P08172 1/20 0.36
POLB P06746 1/20 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
SCHEMBL13660482 0.82 HTR2A (0.41) KDM4AKDM4BKDM5CKDM5B
SCHEMBL13660485 0.80 CHRM2 (0.39) ALDH1A1HPGDTSHRRECQLCHRM2
SCHEMBL13660481 0.79 CDK1 (0.33)
SCHEMBL13660641 0.76 ALDH1A1 (0.51) LMNASMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL13660480 0.76 NOS3 (0.34)
SCHEMBL13660484 0.72 ALDH1A1 (0.39) LMNAALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL13660644 0.72 CYP2D6 (0.39) LMNASMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL13278218 0.64 USP2 (0.50) LMNAALDH1A1TSHRRECQLCHRM2
SCHEMBL18601289 0.63 TSHR (0.52) LMNAALDH1A1HPGDTSHRRECQL
SCHEMBL843371 0.63 CHRM2 (0.69) ALDH1A1TSHRCYP1A2CYP2D6KDM4A

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-7608627-B2 I kappa B kinase inhibition; diabetes; (7-Chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol; N-Benzyl-7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-27 US disclosed
US-20080064715-A1 6-Azaindole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-13 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-20080064715-A1 6-Azaindole Compound RELA, NFKBIA, GPR119 LMNA 3936/4885SMN1; SMN2 4404/4885ALDH1A1 3508/4885

“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.