SCHEMBL4414155

SCHEMBL4414155

Cc1ccc(-c2cc(-n3cnnn3)ccc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.47
KCNJ1 P48048 2/20 0.47
TSHR P16473 1/20 0.46
ACLY P53396 2/20 0.46
NOTUM Q6P988 2/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PTK2 Q05397 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 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
SCHEMBL19989727 0.79 KCNJ1 (0.54) KMT2AALDH1A1KCNJ1ACLYNOTUM
SCHEMBL6990234 0.78 ALDH1A1 (0.60) KMT2AALDH1A1KCNJ1NOTUMTP53
SCHEMBL28476725 0.77 RAB9A (0.46) KMT2AALDH1A1KCNJ1TSHRACLY
SCHEMBL357612 0.76 P2RY14 (0.50) KMT2AALDH1A1KCNJ1TSHRNOTUM
SCHEMBL6425207 0.75 KMT2A (0.52) KMT2AALDH1A1KCNJ1TSHRTP53
SCHEMBL4317005 0.74 ALDH1A1 (0.44) KMT2AALDH1A1TSHRACLYNOTUM
SCHEMBL6498971 0.74 HDAC7 (0.57) KMT2AALDH1A1NOTUMSMN1; SMN2
SCHEMBL2757861 0.74 MAPT (0.53) KMT2AALDH1A1KCNJ1NOTUMTP53
SCHEMBL82595 0.73 MAPT (0.69) KMT2AALDH1A1KCNJ1NOTUMLMNA
SCHEMBL9423281 0.73 ALDH1A1 (0.55) KMT2AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193368-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-06-05 US disclosed
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists DILLON MICHAEL PATRICK 2009-12-31 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-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 KMT2A 2876/4885ALDH1A1 2080/4885KCNJ1 90/4885

“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.