SCHEMBL4399005

SCHEMBL4399005

CN(C)/C=C1/CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMARCA4 P51532 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAP1LC3B Q9GZQ8 2/20 0.35
PBRM1 Q86U86 1/20 0.34
ALDH1A1 P00352 6/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP2B6 P20813 1/20 0.31
HSD17B10 Q99714 2/20 0.31
GAA P10253 1/20 0.30
RECQL P46063 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
ALOX12 P18054 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4399007 1.00 SMARCA4 (0.40) SMARCA4KDM4EMEN1KMT2AMAP1LC3B
SCHEMBL1528435 0.87 KDM4E (0.39) SMARCA4KDM4EMEN1KMT2AMAP1LC3B
SCHEMBL1528434 0.87 KDM4E (0.39) SMARCA4KDM4EMEN1KMT2AMAP1LC3B
SCHEMBL3479747 0.87 KDM4E (0.39) SMARCA4KDM4EMEN1KMT2AMAP1LC3B
SCHEMBL17376976 0.72 ACHE (0.50) SMN1; SMN2HIF1A
SCHEMBL17376975 0.72 ACHE (0.50) SMN1; SMN2HIF1A
SCHEMBL17376974 0.72 ACHE (0.50) SMN1; SMN2HIF1A
SCHEMBL1528523 0.72 CYP2B6 (0.36) MEN1KMT2AMAPTSMN1; SMN2CYP2B6
SCHEMBL3733266 0.71 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL3733271 0.71 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554256-B1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2009-12-09 EP disclosed
US-7208498-B2 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC. (US) 2007-04-24 US disclosed
US-20060040963-A1 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
US-6653302-B2 Benign prostatic hyperplasia PFIZER INC. 2003-11-25 US disclosed
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2003-07-10 US disclosed
EP-0968208-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER LTD (GB) 2003-06-04 EP disclosed
US-6521629-B2 2-amine substituted quinoline or quinozoline derivatives useful for treating benign prostatic hyperplasia PFIZER INC. 2003-02-18 US disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 US disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 US 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 (3 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-20030130259-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, LPXN SMARCA4 3062/4885KDM4E 2897/4885MEN1 118/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 SMARCA4 2994/4885KDM4E 2920/4885MEN1 92/4885
US-20060040963-A1 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes DPP4, DPP3, DPP7 SMARCA4 3696/4885KDM4E 578/4885MEN1 4690/4885

“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.