SCHEMBL14268141

SCHEMBL14268141

CCCc1ccc(OC)c(I)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.48
▸ GABRB2 P47870 2/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ ATM Q13315 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL17122477 0.85 ATM (0.47) GABRA1GABRB2ALOX5ATMKDM4E
SCHEMBL3551556 0.84 CA2 (0.47) ATMKDM4EPOLBCYP1A2CYP3A4
SCHEMBL22228111 0.83 CYP1A2 (0.46) ALOX5ATMKDM4EPOLBCYP1A2
SCHEMBL427541 0.82 ATM (0.68) ATMKDM4EPOLBCYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL10556485 0.80 ATM (0.66) ATMKDM4EPOLBCYP1A2CYP3A4
SCHEMBL15055469 0.80 GABRA1 (0.58) GABRA1GABRB2ALOX5ATMKDM4E
SCHEMBL15693567 0.79 ATM (0.55) GABRA1GABRB2ALOX5ATMKDM4E
SCHEMBL9886159 0.78 GABRA1 (0.49) GABRA1GABRB2ALOX5ATMKDM4E
Hydrochloric Acid SCHEMBL8621698 0.78 ATM (0.63) ATMKDM4EPOLBCYP1A2CYP3A4
SCHEMBL2723044 0.78 CA2 (0.45) ATMKDM4EPOLBCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 — — US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 — — US disclosed
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 — — US disclosed
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 — — US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 — — US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 — — 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GABRA1 4438/4885GABRB2 3778/4885ALOX5 932/4885

“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.

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