SCHEMBL24970900

SCHEMBL24970900

CCO/C=C/C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 6/20 0.55
HTT P42858 2/20 0.55
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
GMNN O75496 1/20 0.52

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
SCHEMBL15708023 0.86 NMT1 (0.58) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL15708022 0.86 NMT1 (0.58) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL789634 0.84 EGFR (0.45) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL3973117 0.84 RAB9A (0.53) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL2321687 0.84 RAB9A (0.53) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL25324107 0.84 EGFR (0.50) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL14452255 0.84 EGFR (0.45) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL789635 0.84 EGFR (0.45) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL3973119 0.84 RAB9A (0.53) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL12455934 0.84 EGFR (0.54) KMT2AMEN1MAPTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 US disclosed
WO-2024132001-A1 MULTITARGET NUCLEAR RECEPTOR LIGANDS BASED ON 2-(4-(QUINOLIN-2-YLOXY)PHENOXY)PROPANOIC ACID AND 2-(4-(QUINOXALIN-2-YLOXY)PHENOXY)PROPANOIC ACID FOR THE TREATMENT OF METABOLIC AND LIVER DISEASES CHARLES UNIVERSITY, FACULTY OF PHARMACY IN HRADEC KRALOVE (CZ) 2024-06-27 WO disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO 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-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B KMT2A 2400/4885MEN1 3855/4885MAPT 3200/4885

“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.