SCHEMBL6707614

SCHEMBL6707614

N#CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.60
CYP19A1 P11511 5/20 0.56
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NR4A1 P22736 1/20 0.50
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
YES1 P07947 1/20 0.48
KDR P35968 1/20 0.48
JAK3 P52333 1/20 0.48
CHRNB2 P17787 3/20 0.48
CHRNA7 P36544 3/20 0.48

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
SCHEMBL274052 0.90 KMT2A (0.63) HTR6CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL16027030 0.82 HTR6 (0.66) HTR6CYP19A1ALDH1A1HTTKDM4E
SCHEMBL7753094 0.78 HTR6 (0.69) HTR6CYP19A1ALDH1A1KMT2AHTT
Propionamide SCHEMBL9805665 0.78 ICMT (0.48) HTR6ALDH1A1SMN1; SMN2HTTCHRNB2
SCHEMBL4263977 0.78 CYP2A6 (0.63) HTR6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10244867 0.77 CYP19A1 (0.50) CYP19A1ALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8986547 0.77 HTR6 (0.67) HTR6CYP19A1KMT2AYES1KDR
SCHEMBL10465308 0.76 CACNB4 (0.42) HTR6CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL7698481 0.76 LMNA (0.77) HTR6CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL5462258 0.75 ALDH1A1 (0.63) HTR6ALDH1A1MEN1KMT2ASMN1; SMN2

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 HTR6 265/4885CYP19A1 1538/4885ALDH1A1 3031/4885

“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.