SCHEMBL10499693

SCHEMBL10499693

CCOc1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.45
TLR8 Q9NR97 1/20 0.44
MEN1 O00255 4/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL18989532 0.88 ALDH1A1 (0.53) KMT2AALDH1A1MAPTLMNANPSR1
SCHEMBL18245864 0.83 ALDH1A1 (0.50) KMT2AALDH1A1MAPTLMNANPSR1
SCHEMBL7424850 0.83 ALDH1A1 (0.49) KMT2AALDH1A1MAPTLMNANPSR1
SCHEMBL102120 0.82 TDP1 (0.53) KMT2AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL2735445 0.81 ALDH1A1 (0.59) KMT2AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL16174936 0.81 MAPT (0.49) KMT2AALDH1A1MAPTLMNANPSR1
SCHEMBL9474904 0.81 ALDH1A1 (0.60) KMT2AALDH1A1MAPTLMNANPSR1
SCHEMBL11497261 0.80 HPGD (0.58) KMT2AALDH1A1L3MBTL1TLR8MEN1
SCHEMBL11193937 0.80 ALDH1A1 (0.55) KMT2AALDH1A1MAPTLMNANPSR1
SCHEMBL20509544 0.80 ALDH1A1 (0.47) KMT2AALDH1A1MAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475276-B1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER US HEALTH (US) 2021-03-31 EP disclosed
US-10836759-B2 Thiazole derivatives useful as mutant IDH1 inhibitors for treating cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2020-11-17 US disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-20190241551-A1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2019-08-08 US disclosed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 US disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 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 (4 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-10836759-B2 Thiazole derivatives useful as mutant IDH1 inhibitors for treating cancer IDH1, IDH2, IDH3B KMT2A 984/4885ALDH1A1 674/4885MAPT 3875/4885
US-20190241551-A1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER IDH1, IDH2, IDH3B KMT2A 984/4885ALDH1A1 674/4885MAPT 3875/4885
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER IDH1, IDH3B, IDH3A KMT2A 221/4885ALDH1A1 417/4885MAPT 4568/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A KMT2A 221/4885ALDH1A1 417/4885MAPT 4568/4885

“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.