SCHEMBL11236137

SCHEMBL11236137

NC(N)=Nc1nc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.58
NPC1 O15118 11/20 0.58
HPGD P15428 2/20 0.58
TNF P01375 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 3/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
PKM P14618 1/20 0.51
POLB P06746 1/20 0.50
PSMD14 O00487 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL559230 0.81 RAB9A (0.54) RAB9ANPC1HPGDTNFL3MBTL1
SCHEMBL31314989 0.78 RAB9A (0.52) RAB9ANPC1HPGDTNFL3MBTL1
SCHEMBL1233047 0.78 RAB9A (0.52) RAB9ANPC1HPGDTNFL3MBTL1
SCHEMBL559070 0.77 RAB9A (0.50) RAB9ANPC1HPGDTNFL3MBTL1
SCHEMBL22574543 0.76 NPC1 (0.52) RAB9ANPC1HPGDTNFSMN1; SMN2
SCHEMBL22467951 0.76 PIK3CG (0.56) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL22468101 0.76 ALDH1A1 (0.59) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL27528127 0.75 RAB9A (0.65) RAB9ANPC1HPGDTNFL3MBTL1
SCHEMBL6414795 0.75 RAB9A (0.48) RAB9ANPC1HPGDTNFL3MBTL1
SCHEMBL8491156 0.73 RAB9A (0.49) RAB9ANPC1HPGDTNFL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952371-B1 2-[(1,3-benzoxazol-2-yl)imino]-5,5-diphenylimidazolidin-4-one as an antimicrobial compound King Faisal University (SA) 2024-04-09 US claimed
US-11952371-B1 2-[(1,3-benzoxazol-2-yl)imino]-5,5-diphenylimidazolidin-4-one as an antimicrobial compound King Faisal University (SA) 2024-04-09 US disclosed
EP-3728211-A1 BIGUANIDE DERIVATIVES AND THEIR REARRANGEMENT PRODUCTS FOR USE IN THE TREATMENT OF CANCER Centre National de la Recherche Scientifique (FR) 2020-10-28 EP disclosed
WO-2013043192-A1 GALACTOKINASE INHIBITORS FOR THE TREATMENT AND PREVENTION OF ASSOCIATED DISEASES AND DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-03-28 WO disclosed
US-4347310-A INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-08-31 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-11952371-B1 2-[(1,3-benzoxazol-2-yl)imino]-5,5-diphenylimidazolidin-4-one as an antimicrobial compound MRPL21, NOD1, ZC3HAV1L RAB9A 3293/4885NPC1 815/4885HPGD 3072/4885

“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.