SCHEMBL17438150

SCHEMBL17438150

Cc1ccccc1N(Nc1ccc(F)cc1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL5992621 0.88 SMN1; SMN2 (0.44) ALDH1A1LMNAKDM4ERAB9AKMT2A
SCHEMBL8479485 0.70 ALDH1A1 (0.49) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL1954826 0.68 SIGMAR1 (0.44) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL29624292 0.67 SIGMAR1 (0.43) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL28624432 0.66 RAB9A (0.51) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL4919799 0.65 SIGMAR1 (0.42) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL28872509 0.65 SMN1; SMN2 (0.65) ALDH1A1LMNANPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL27750411 0.65 SIGMAR1 (0.54) ALDH1A1LMNA
SCHEMBL8336714 0.65 SIGMAR1 (0.42) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL30102091 0.65 RAB9A (0.73) ALDH1A1LMNAKDM4ENPC1RAB9A

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 ALDH1A1 3473/4885LMNA 368/4885KDM4E 4777/4885
US-10730848-B2 Protective molecules against anthrax toxin ANTXR2, TSG101, ANXA1 ALDH1A1 3473/4885LMNA 368/4885KDM4E 4777/4885

“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.

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