SCHEMBL23901783

SCHEMBL23901783

CCNC(=N)c1ccc(OCc2cc(C)cc(COc3ccc(C(=N)NCC)cc3OC)c2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
PRSS1 P07477 5/20 0.44
MRGPRX1 Q96LB2 2/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F7 P08709 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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 SCHEMBL23880720 0.99 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL23902311 0.87 FFAR4 (0.45) PRSS1MRGPRX4
SCHEMBL23901830 0.87 NPC1 (0.47) SMN1; SMN2CYP1A2CYP3A4MAPTCYP2C9
Hydrochloric Acid SCHEMBL23235893 0.86 NPC1 (0.46) SMN1; SMN2CYP1A2CYP3A4MAPTCYP2C9
Hydrochloric Acid SCHEMBL23235788 0.86 FFAR4 (0.44) PRSS1F2MRGPRX4
SCHEMBL23902221 0.84 RAB9A (0.47) SMN1; SMN2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL23902235 0.83 NPC1 (0.49) SMN1; SMN2CYP1A2CYP3A4MAPTCYP2C9
Hydrochloric Acid SCHEMBL23880744 0.83 RAB9A (0.46) SMN1; SMN2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL23566116 0.82 PRSS1 (0.65) PRSS1MRGPRX1F2F10F7
Hydrochloric Acid SCHEMBL23235770 0.81 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 SMN1; SMN2 3001/4885CYP1A2 3850/4885CYP3A4 3461/4885

“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.