SCHEMBL7707690

SCHEMBL7707690

COc1ccc(Cc2[nH]c3ncccc3c2Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDR P35968 2/20 0.41
PTGIR P43119 1/20 0.41
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.38
TYMS P04818 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 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
SCHEMBL7714731 0.82 TUBB4A (0.47) ALDH1A1MAPTPKM
SCHEMBL14738981 0.78 RHEB (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7711221 0.77 TUBB4A (0.49) DYRK1ACLK4DYRK1B
SCHEMBL14738723 0.77 ALDH1A1 (0.45) ALDH1A1MAPTTP53LMNAPKM
SCHEMBL7707749 0.76 ALDH1A1 (0.42) ALDH1A1PTGIRHTTCYP1A2CYP3A4
SCHEMBL14738832 0.76 MAPT (0.51) ALDH1A1MAPTTP53LMNAHTT
SCHEMBL7707721 0.75 ALDH1A1 (0.41) ALDH1A1MAPTTP53LMNANPSR1
SCHEMBL7705194 0.74 RHEB (0.39) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL7714858 0.74 SLC6A4 (0.37) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL7711540 0.74 SLC6A4 (0.37) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
CN-102917707-A Azaindole derivatives useful as modulators of FAAH MERCK SHARP & DOHME 2013-02-06 CN disclosed
WO-2011140164-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2011-11-10 WO 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 ALDH1A1 1530/4885KDR 3531/4885PTGIR 176/4885

“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.