SCHEMBL3907233

SCHEMBL3907233

Clc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.71
RAB9A P51151 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
HTT P42858 3/20 0.71
PLA2G1B P04054 1/20 0.71
ATG4B Q9Y4P1 1/20 0.71
TSHR P16473 7/20 0.70
NPC1 O15118 3/20 0.65
CPB1 P15086 1/20 0.64
PTGS2 P35354 1/20 0.63
ALDH1A1 P00352 4/20 0.56
OPRK1 P41145 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
GALR3 O60755 1/20 0.55
POLB P06746 1/20 0.55
ESR2 Q92731 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL3902836 0.94 TSHR (0.79) LMNARAB9ASMN1; SMN2HTTPLA2G1B
SCHEMBL3906416 0.89 TSHR (0.72) LMNARAB9ASMN1; SMN2HTTPLA2G1B
SCHEMBL3908314 0.86 TSHR (0.68) LMNARAB9ASMN1; SMN2HTTPLA2G1B
SCHEMBL3910599 0.84 ALDH1A1 (0.60) LMNARAB9ASMN1; SMN2HTTPLA2G1B
SCHEMBL4209449 0.83 TSHR (1.00) LMNARAB9ASMN1; SMN2HTTTSHR
SCHEMBL3910210 0.79 OPRK1 (0.81) LMNARAB9ATSHRNPC1OPRK1
SCHEMBL3906023 0.78 TSHR (0.88) LMNARAB9ASMN1; SMN2TSHRNPC1
SCHEMBL16302919 0.77 OPRK1 (0.84) OPRK1
SCHEMBL4206412 0.77 TSHR (0.83) LMNARAB9ASMN1; SMN2HTTTSHR
SCHEMBL17294948 0.76 PTGS2 (0.66) LMNARAB9ASMN1; SMN2HTTPLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563905-B2 Triazole derivatives and method of using the same to treat HIV infections WYETH (US) 2009-07-21 US claimed
WO-2005090320-A2 TRIAZOLE DERIVATIVES AND METHOD OF USING THE SAME TO TREAT HIV INFECTIONS WYETH (US) 2005-09-29 WO claimed
US-20050209287-A1 Triazole derivatives and method of using the same to treat HIV infections WYETH 2005-09-22 US claimed
US-7563905-B2 Triazole derivatives and method of using the same to treat HIV infections WYETH (US) 2009-07-21 US disclosed
US-7563905-B2 Triazole derivatives and method of using the same to treat HIV infections WYETH (US) 2009-07-21 US disclosed
US-7563905-B2 Triazole derivatives and method of using the same to treat HIV infections WYETH (US) 2009-07-21 US disclosed
WO-2005090320-A2 TRIAZOLE DERIVATIVES AND METHOD OF USING THE SAME TO TREAT HIV INFECTIONS WYETH (US) 2005-09-29 WO disclosed
US-20050209287-A1 Triazole derivatives and method of using the same to treat HIV infections WYETH 2005-09-22 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-20050209287-A1 Triazole derivatives and method of using the same to treat HIV infections CYP3A43, XDH, AKR1C3 LMNA 4102/4885RAB9A 4291/4885SMN1; SMN2 3822/4885

“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.