SCHEMBL23901830

SCHEMBL23901830

CNC(=N)c1ccc(OCc2cc(C)cc(COc3ccc(C(=N)NC)cc3OC)c2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PRSS1 P07477 5/20 0.46
MRGPRX1 Q96LB2 2/20 0.46
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
F7 P08709 1/20 0.46
HPGD P15428 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 3/20 0.44
SMPD1 P17405 2/20 0.44

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 SCHEMBL23235893 0.99 NPC1 (0.46) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL23901783 0.87 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL23901802 0.86 FFAR4 (0.47) PRSS1MRGPRX4
Hydrochloric Acid SCHEMBL23880720 0.86 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL23902221 0.86 RAB9A (0.47) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL23235737 0.85 FFAR4 (0.46) PRSS1F2MRGPRX4
Hydrochloric Acid SCHEMBL23880744 0.85 RAB9A (0.46) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL23566116 0.84 PRSS1 (0.65) PRSS1MRGPRX1F2F10F7
SCHEMBL23902235 0.83 NPC1 (0.49) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL23235770 0.83 PRSS1 (0.66) PRSS1MRGPRX1F2F10F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 NPC1 1939/4885RAB9A 1026/4885SMN1; SMN2 3001/4885

“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.