SCHEMBL17438136

SCHEMBL17438136

O=C(NN=Cc1cc(Cl)cc(Cl)c1O)Nc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.73
CYP2C19 P33261 2/20 0.73
KMT2A Q03164 7/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 6/20 0.58
KDM4E B2RXH2 5/20 0.58
MAPT P10636 5/20 0.58
TDP1 Q9NUW8 2/20 0.58
CHEK1 O14757 1/20 0.56
AURKA O14965 1/20 0.56
DAPK3 O43293 1/20 0.56
JAK2 O60674 1/20 0.56
PRKD3 O94806 1/20 0.56

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
SCHEMBL17438132 1.00 CYP1A2 (0.73) CYP1A2CYP2C19KMT2AALDH1A1LMNA
SCHEMBL17452448 0.84 CYP1A2 (1.00) CYP1A2CYP2C19KMT2AALDH1A1LMNA
SCHEMBL685119 0.82 NPC1 (0.77) CYP1A2CYP2C19KMT2AALDH1A1RAB9A
SCHEMBL6570259 0.82 NPC1 (0.77) CYP1A2CYP2C19KMT2AALDH1A1RAB9A
SCHEMBL6570260 0.82 NPC1 (0.77) CYP1A2CYP2C19KMT2AALDH1A1RAB9A
SCHEMBL8265458 0.81 ALDH1A1 (0.56) CYP1A2CYP2C19KMT2AALDH1A1LMNA
SCHEMBL684903 0.79 KMT2A (0.78) CYP1A2CYP2C19KMT2AALDH1A1LMNA
SCHEMBL685177 0.78 PIK3CG (0.67) KMT2AALDH1A1LMNARAB9ANPC1
SCHEMBL684567 0.78 MEN1 (0.70) KMT2ALMNARAB9ANPC1SMN1; SMN2
SCHEMBL17452446 0.77 LMNA (1.00) CYP1A2CYP2C19KMT2AALDH1A1LMNA

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-10730848-B2 Protective molecules against anthrax toxin THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-04 US disclosed
US-20160016930-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-21 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 (2 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-20160016930-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN ANTXR2, TSG101, ANXA1 CYP1A2 3491/4885CYP2C19 4603/4885KMT2A 4471/4885
US-10730848-B2 Protective molecules against anthrax toxin ANTXR2, TSG101, ANXA1 CYP1A2 3491/4885CYP2C19 4603/4885KMT2A 4471/4885

“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.