SCHEMBL3306706

SCHEMBL3306706

COc1ccc(CNC=O)cc1F

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DBH P09172 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3310620 0.89 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1486251 0.86 ALDH1A1 (0.60) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL19805922 0.83 KDM1A (0.49) KDM1AMAOAMAOBDBHALDH1A1
SCHEMBL5541189 0.82 GAA (0.50) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL19189935 0.82 GAA (0.59) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL3307756 0.82 TRPV1 (0.57) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL18427657 0.82 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL6777347 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL21534766 0.81 HTR1A (0.51) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL23046575 0.81 KDM1A (0.52) KDM1AMAOAMAOBDBHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 US claimed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 US claimed
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 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 (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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 KDM1A 512/4885MAOA 1449/4885MAOB 1216/4885
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB KDM1A 3017/4885MAOA 194/4885MAOB 240/4885

“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.