SCHEMBL3458474

SCHEMBL3458474

COc1cc(CNCCNC(=O)O)ccc1OCc1ccccc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.70
HTT P42858 3/20 0.70
RAB9A P51151 2/20 0.70
MAPT P10636 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CD274 Q9NZQ7 4/20 0.57
MEN1 O00255 3/20 0.56
TAAR1 Q96RJ0 1/20 0.56
GAA P10253 4/20 0.55
BCHE P06276 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
NPY1R P25929 1/20 0.51

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
SCHEMBL5098443 0.92 KMT2A (0.70) KMT2AHTTRAB9AMAPTCYP1A2
SCHEMBL3457501 0.89 HTT (0.65) KMT2AHTTRAB9AMAPTCD274
SCHEMBL3458730 0.89 KMT2A (0.55) KMT2AHTTRAB9AMAPTCYP1A2
SCHEMBL14078198 0.87 KMT2A (0.64) KMT2AHTTRAB9AMAPTCYP1A2
SCHEMBL5113589 0.87 BCHE (0.69) KMT2AHTTRAB9ACYP3A4CYP2D6
SCHEMBL5096285 0.86 KMT2A (0.73) KMT2AHTTRAB9AMAPTCYP1A2
SCHEMBL5113660 0.85 BCHE (0.57) KMT2AHTTRAB9AMAPTNPSR1
SCHEMBL3458724 0.84 KMT2A (0.67) KMT2AHTTRAB9AMAPTCYP1A2
SCHEMBL5105316 0.82 CD274 (0.66) KMT2AHTTRAB9AMAPTCYP1A2
SCHEMBL5098863 0.82 CD274 (0.74) KMT2AHTTRAB9AMAPTCYP1A2

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
WO-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO disclosed
US-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
WO-2007080109-A1 SUBSTITUDED BENZYLOXY-PHENYLMETHYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
EP-1802600-A1 SUBSTITUTED 4-BENZYLOXY-PHENYLMETHYLAMIDE DERIVATIVES AS COLD MENTHOL RECEPTOR-1 (CMR-1) ANTAGONITS FOR THE TREATMENT OF UROLOGICAL DISORDERS Bayer HealthCare AG (DE) 2007-07-04 EP disclosed
WO-2006040136-A1 SUBSTITUTED 4-BENZYLOXY-PHENYLMETHYLAMIDE DERIVATIVES AS COLD MENTHOL RECEPTOR-1 (CMR-1) ANTAGONISTS FOR THE TREATMENT OF UROLOGICAL DISORDER BAYER HEALTHCARE AG (DE) 2006-04-20 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-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives OPRL1, ADRA1A, CNR1 KMT2A 1539/4885HTT 3686/4885RAB9A 4423/4885

“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.