SCHEMBL6370608

SCHEMBL6370608

NCc1ccc(CCCNCCNC(=O)c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MMP2 P08253 1/20 0.54
CA9 Q16790 1/20 0.54
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
OPRM1 P35372 3/20 0.51
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
POLB P06746 1/20 0.51
CHRM4 P08173 1/20 0.51
MAPK14 Q16539 2/20 0.50
HPGD P15428 1/20 0.50
SPHK2 Q9NRA0 1/20 0.49
TPSAB1 Q15661 1/20 0.49
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48

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
Hydrochloric Acid SCHEMBL6370848 0.88 NPC1 (0.64) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL6376640 0.82 TPSAB1 (0.58) NPC1RAB9AOPRM1TPSAB1MAPT
SCHEMBL27600905 0.80 HPGD (0.78) NPC1RAB9AMAPK14HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6377042 0.78 PTPN1 (0.56) NPC1KMT2APOLBHPGDTPSAB1
SCHEMBL4755507 0.77 HPGD (0.64) CA12CA1CA2MMP2CA9
SCHEMBL13886644 0.77 CA12 (0.63) CA12CA1CA2MMP2CA9
SCHEMBL13886643 0.77 CA12 (0.67) CA12CA1CA2MMP2CA9
SCHEMBL5729004 0.77 HDAC2 (0.71) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3038826 0.77 HPGD (0.63) CA12CA1CA2MMP2CA9
SCHEMBL13886646 0.76 CA12 (0.62) CA12CA1CA2MMP2CA9

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-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

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 CA12 2455/4885CA1 2886/4885CA2 694/4885

“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.