SCHEMBL3801753

SCHEMBL3801753

O=P1(c2ccccc2)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.36
SIGMAR1 Q99720 2/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
LMNA P02545 1/20 0.34
ALOX5 P09917 3/20 0.34
G6PD P11413 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
DDB1 Q16531 1/20 0.33

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
SCHEMBL26999253 0.76 MEN1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL23372981 0.76 MEN1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL20587771 0.76 MEN1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL24406713 0.76 MEN1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3797300 0.71 HPGD (0.38) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL12352995 0.71 HPGD (0.33) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL12353015 0.70 GSK3A (0.35) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL12353140 0.68 GSK3A (0.34) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5653503 0.68 HPGD (0.36) MEN1KMT2AHPGDTSHR
SCHEMBL12353317 0.68 GSK3A (0.34) MEN1KMT2ANPC1RAB9AALDH1A1

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-7829044-B2 Phosphonamides, process for producing the same, and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-11-09 US disclosed
US-7829044-B2 Phosphonamides, process for producing the same, and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-11-09 US disclosed
EP-1496063-B1 EXTRACTION PROCESS FOR RARE EARTH METAL IONS USING A PHOSPHONAMIDE COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2009-08-19 EP disclosed
US-20050107599-A1 Novel phosphonamides, process for producing the same, and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-05-19 US disclosed
EP-1496063-A1 NOVEL PHOSPHONAMIDES, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Japan Science and Technology Agency (JP) 2005-01-12 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-20050107599-A1 Novel phosphonamides, process for producing the same, and use thereof PHYKPL, CDKL1, MASTL MEN1 619/4885KMT2A 3902/4885NPC1 3995/4885

“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.