SCHEMBL6431328

SCHEMBL6431328

CCCCCn1ccc(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
TLR8 Q9NR97 2/20 0.51
CYP19A1 P11511 1/20 0.46
SOAT2 O75908 2/20 0.45
SOAT1 P35610 2/20 0.45
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CRHBP P24387 1/20 0.43
CYP2C19 P33261 1/20 0.43
CRHR2 Q13324 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
NR1H3 Q13133 1/20 0.42
HSD11B1 P28845 1/20 0.42
PDE10A Q9Y233 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
SCHEMBL15338801 0.88 KMT2A (0.60) KMT2ATLR8CYP19A1TSHRMAPT
SCHEMBL24168945 0.84 KEAP1 (0.57) KMT2ATLR8CYP19A1TSHRMAPT
SCHEMBL27774356 0.82 CYP19A1 (0.54) KMT2ACYP19A1TSHRMAPTSMN1; SMN2
SCHEMBL17261567 0.81 KMT2A (0.52) KMT2ATLR8MAPTSMN1; SMN2PDE10A
SCHEMBL14387688 0.81 KMT2A (0.51) KMT2ACYP19A1MAPTSMN1; SMN2PDE10A
SCHEMBL11123118 0.80 KMT2A (0.59) KMT2ACYP19A1TP53MAPTSMN1; SMN2
SCHEMBL26219682 0.80 CYP19A1 (0.44) KMT2ATLR8CYP19A1
SCHEMBL27774531 0.79 LTA4H (0.41) KMT2ATLR8CYP19A1TSHRNR1H3
SCHEMBL28782368 0.79 KEAP1 (0.59) KMT2ATLR8CYP19A1TSHRMAPT
SCHEMBL11679229 0.79 CYP19A1 (0.49) KMT2ATLR8CYP19A1SMN1; SMN2MEN1

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
EP-1694123-B1 TOPICAL FORMULATIONS COMPRISING A 1-N-ARYLPYRAZOLE DERIVATIVE AND A FORMAMIDINE MERIAL INC (US) 2017-09-06 EP claimed
US-20050137244-A1 Topical formulations comprising 1-N-arylpyrazole derivatives and amitraz MERIAL, INC. 2005-06-23 US claimed
CN-116490201-A Inhibitors of YAP/TAZ-TEAD tumor proteins, their synthesis and use 布里奇恩生物科学公司 2023-07-25 CN 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-20050137244-A1 Topical formulations comprising 1-N-arylpyrazole derivatives and amitraz MGAT2, MGAT1, MIF KMT2A 2162/4885TLR8 4361/4885CYP19A1 392/4885

“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.