SCHEMBL11258013

SCHEMBL11258013

Cc1cccc(C)c1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.72
ALDH1A1 P00352 8/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
LMNA P02545 1/20 0.66
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
ALOX12 P18054 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
HPGD P15428 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59

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
SCHEMBL16030042 0.89 ALDH1A1 (0.62) EPHX1ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL9311503 0.89 EPHX1 (0.62) EPHX1ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL5443717 0.88 ALDH1A1 (0.84) EPHX1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL16119691 0.87 EPHX1 (0.60) EPHX1ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL14096562 0.86 ALDH1A1 (0.67) EPHX1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL11170313 0.85 EPHX1 (0.59) EPHX1ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL2351309 0.85 ALDH1A1 (0.56) EPHX1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL8616512 0.84 ALDH1A1 (0.67) EPHX1ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL5713527 0.84 EPHX1 (1.00) EPHX1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4138460 0.83 POLB (0.67) SMN1; SMN2LMNANPC1RAB9AHPGD

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 10 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-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
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
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
WO-2014113607-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-24 WO disclosed
WO-2014113607-A1 PROTECTIVE MOLECULES AGAINST ANTHRAX TOXIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-24 WO disclosed
US-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4115564-A Treatment of diarrhea with amidinoureas WILLIAM H. RORER, INC. (US) 1978-09-19 US disclosed
US-4025652-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1977-05-24 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 EPHX1 1283/4885ALDH1A1 3473/4885SMN1; SMN2 3581/4885
US-10730848-B2 Protective molecules against anthrax toxin ANTXR2, TSG101, ANXA1 EPHX1 1283/4885ALDH1A1 3473/4885SMN1; SMN2 3581/4885

“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.