SCHEMBL6664670

SCHEMBL6664670

N#CC1=COC(c2ccccc2Cl)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
CDK1 P06493 1/20 0.33
ROS1 P08922 1/20 0.33
MARK3 P27448 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3B P49841 1/20 0.33
LIMK1 P53667 1/20 0.33
CDK5 Q00535 1/20 0.33
SLK Q9H2G2 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL4986865 0.74 SMN1; SMN2 (0.36) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL5370319 0.74 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL2473331 0.70 KMT2A (0.35) KMT2AMEN1ALDH1A1KDM4EHTR2A
SCHEMBL6339500 0.68 TP53 (0.33) KMT2AALDH1A1KDM4EGLAGAA
SCHEMBL438926 0.68 HTR2A (0.41) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL3214155 0.62 KMT2A (0.49) KMT2AMEN1LMNAGAAHTR2A
SCHEMBL9739222 0.61 KMT2A (0.36) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL11635434 0.61 KMT2A (0.44) KMT2AMEN1LMNAHTR2AHTR2C
SCHEMBL11201145 0.60 TSHR (0.47) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL13802689 0.60 TP53 (0.36) KMT2AMEN1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270550-B1 Process for producing 3, 4-Dihydroxybenzonitrile UBE INDUSTRIES (JP) 2004-09-15 EP claimed
US-6573397-B2 Chlorinating 3,4-methylenedioxybenzonitrile with sulfuryl chloride or chlorine in presence of promoter to form 2-chloro-benzo(1,3)dioxole-5-carbonitrile, hydrolyzing with water to produce 3,4-dihydroxybenzonitrile UBE INDUSTRIES, LTD. (JP) 2003-06-03 US claimed
US-20030009048-A1 Process for producing 3,4-dihydroxybenzonitrile UBE INDUSTRIES, LTD. 2003-01-09 US claimed
EP-1270550-A1 Process for producing 3, 4-Dihydroxybenzonitrile Ube Industries, Ltd. (JP) 2003-01-02 EP claimed
EP-1270550-B1 Process for producing 3, 4-Dihydroxybenzonitrile UBE INDUSTRIES (JP) 2004-09-15 EP disclosed
US-6573397-B2 Chlorinating 3,4-methylenedioxybenzonitrile with sulfuryl chloride or chlorine in presence of promoter to form 2-chloro-benzo(1,3)dioxole-5-carbonitrile, hydrolyzing with water to produce 3,4-dihydroxybenzonitrile UBE INDUSTRIES, LTD. (JP) 2003-06-03 US disclosed
US-6573397-B2 Chlorinating 3,4-methylenedioxybenzonitrile with sulfuryl chloride or chlorine in presence of promoter to form 2-chloro-benzo(1,3)dioxole-5-carbonitrile, hydrolyzing with water to produce 3,4-dihydroxybenzonitrile UBE INDUSTRIES, LTD. (JP) 2003-06-03 US disclosed
US-20030009048-A1 Process for producing 3,4-dihydroxybenzonitrile UBE INDUSTRIES, LTD. 2003-01-09 US disclosed
US-20030009048-A1 Process for producing 3,4-dihydroxybenzonitrile UBE INDUSTRIES, LTD. 2003-01-09 US disclosed
EP-1270550-A1 Process for producing 3, 4-Dihydroxybenzonitrile Ube Industries, Ltd. (JP) 2003-01-02 EP disclosed
EP-1270550-A1 Process for producing 3, 4-Dihydroxybenzonitrile Ube Industries, Ltd. (JP) 2003-01-02 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 (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-20030009048-A1 Process for producing 3,4-dihydroxybenzonitrile BPNT1, DCUN1D4, CPN1 KMT2A 2939/4885MEN1 2481/4885ALDH1A1 1076/4885

“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.