SCHEMBL6370836

SCHEMBL6370836

NCCNS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
TPSAB1 Q15661 4/20 0.63
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CYP19A1 P11511 1/20 0.60
NPY1R P25929 1/20 0.58
NPY5R Q15761 1/20 0.58
CYP3A4 P08684 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR7 P34969 1/20 0.53

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
SCHEMBL6791530 0.90 ALDH1A1 (0.68) ALDH1A1TPSAB1LMNAGAASMN1; SMN2
SCHEMBL1928807 0.89 CYP1A2 (0.67) ALDH1A1TPSAB1LMNAGAASMN1; SMN2
SCHEMBL9927436 0.88 ALDH1A1 (0.68) ALDH1A1TPSAB1NPY1RNPY5RCYP3A4
Hydrochloric Acid SCHEMBL1846589 0.88 CYP1A2 (0.66) ALDH1A1TPSAB1NPY1RNPY5RCYP3A4
Hydrochloric Acid SCHEMBL6863251 0.86 ALDH1A1 (0.67) ALDH1A1TPSAB1NPY1RNPY5RCYP3A4
SCHEMBL6290158 0.85 ALDH1A1 (0.66) ALDH1A1TPSAB1LMNAGAASMN1; SMN2
SCHEMBL14516830 0.84 NPY1R (0.67) ALDH1A1TPSAB1LMNAGAASMN1; SMN2
SCHEMBL7053334 0.84 CYP3A4 (0.54) ALDH1A1TPSAB1LMNAGAASMN1; SMN2
SCHEMBL19943983 0.84 CYP3A4 (0.54) ALDH1A1TPSAB1LMNAGAASMN1; SMN2
SCHEMBL3687222 0.83 ALDH1A1 (0.65) ALDH1A1TPSAB1LMNAGAASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-24 US disclosed
EP-1445250-A1 NOVEL AMINE DERIVATIVE HAVING HUMAN BETA-TRYPTASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-08-11 EP disclosed
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed
EP-0301751-A1 Pyridinium derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-01 EP 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-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same TPSAB1, TPSB2, TPSD1 ALDH1A1 2142/4885TPSAB1 1/4885LMNA 2598/4885

“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.