SCHEMBL6758056

SCHEMBL6758056

c1ccc2[nH]c(Cc3ncc[nH]3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.51
AHR P35869 3/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
PCSK9 Q8NBP7 6/20 0.44
HTR1A P08908 1/20 0.42
GUSB P08236 1/20 0.41

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
SCHEMBL10544271 0.80 NLRP3 (0.43) LOXL2
SCHEMBL28338445 0.77 LOXL2 (0.69) AHRLOXL2PCSK9
SCHEMBL401081 0.77 LOXL2 (0.69) AHRLOXL2PCSK9
SCHEMBL29403791 0.77 LOXL2 (0.69) AHRLOXL2PCSK9
SCHEMBL28335219 0.75 LOXL2 (0.67) AHRLOXL2PCSK9
SCHEMBL7738327 0.75 AKR1B1 (0.38) TAAR1AHRADRA2AADRA2BADRA2C
SCHEMBL11225248 0.74 IDO1 (0.55) AHRLOXL2PCSK9GUSB
SCHEMBL25788675 0.74 LOXL2 (0.47) AHRLOXL2PCSK9GUSB
SCHEMBL17508513 0.73 AHR (0.55) AHRLOXL2PCSK9
SCHEMBL9741433 0.73 LOXL2 (0.43) AHRLOXL2PCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040067998-A1 Antifungal and/or antiparasitic pharmaceutical composition and novel indole derivatives as active principle of such a composition YANG JI CHEMICAL COMPANY LTD (KR) 2004-04-08 US disclosed
EP-1322638-A1 ANTIFUNGAL AND/OR ANTIPARASITIC PHARMACEUTICAL COMPOSITION AND NOVEL INDOLE DERIVATIVES AS ACTIVE PRINCIPLE OF SUCH A COMPOSITION Yang Ji Chemical Company Ltd. (KR) 2003-07-02 EP disclosed
WO-2002024685-A1 INDOLE DERIVATIVES AND THEIR USE AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS YANG JI CHEMICAL COMPANY LTD. (KR) 2002-03-28 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-20040067998-A1 Antifungal and/or antiparasitic pharmaceutical composition and novel indole derivatives as active principle of such a composition IDO1, IDO2, TPH1 TAAR1 2048/4885AHR 50/4885ADRA2A 1414/4885

“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.