SCHEMBL6487393

SCHEMBL6487393

Cn1c(-c2ccccc2)c(/C=C/C(=O)NCc2ccc(F)cc2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
BRD4 O60885 1/20 0.43
POLB P06746 1/20 0.43
HK1 P19367 1/20 0.42
HKDC1 Q2TB90 1/20 0.42

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
SCHEMBL6487398 1.00 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL6486271 0.90 KMT2A (0.55) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL6486265 0.90 KMT2A (0.55) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL6487526 0.89 ALDH1A1 (0.46) ALDH1A1LMNANPSR1MAPTKDM4E
SCHEMBL6487521 0.89 ALDH1A1 (0.46) ALDH1A1LMNANPSR1MAPTKDM4E
SCHEMBL6478467 0.88 MEN1 (0.56) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL6478470 0.88 MEN1 (0.56) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL6487064 0.86 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL6487054 0.86 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL6478631 0.84 ALDH1A1 (0.48) KMT2AALDH1A1LMNANPSR1MAPT

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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 EP 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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 KMT2A 1575/4885MEN1 1774/4885ALDH1A1 2521/4885

“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.