SCHEMBL6200518

SCHEMBL6200518

CCC1=C(C(=O)OCCC#N)C(c2ccc3nonc3c2)NC(OC)=N1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 4/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 3/20 0.31
MEN1 O00255 1/20 0.31
NMT1 P30419 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6196437 0.84 POLB (0.35) POLBSMN1; SMN2KMT2AALDH1A1USP2
SCHEMBL7953512 0.80 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AALDH1A1HTTCYP3A4
SCHEMBL6196130 0.80 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AALDH1A1HTTCYP3A4
SCHEMBL6197708 0.76 ADRA1A (0.38) POLBHTTCYP3A4CYP2C9CYP2C19
SCHEMBL6200515 0.70 POLB (0.31) POLB
SCHEMBL6195857 0.69 TSHR (0.46) KMT2AALDH1A1TSHRGAAMEN1
SCHEMBL6643652 0.65 FFAR2 (0.34) ALDH1A1HTT
SCHEMBL6782625 0.60 KMT2A (0.36) POLBSMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL8523732 0.59 CYP2C9 (0.67) KMT2AALDH1A1TSHRGAACYP3A4
SCHEMBL5343438 0.57 POLB (0.63) POLBSMN1; SMN2

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-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
US-6727257-B1 HYPOTENSIVE AGENTS FOR INTRAOCULAR PRESSURE; ANTICHOLESTEROL AGENTS; RELAXING URINARY TRACT TISSUE; BENIGN PROSTATIC HYPERPLASIA, IMPOTENCY, AND CARDIOVASCULAR DISORDERS; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 US disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
EP-0790826-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1998-11-11 EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 WO disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 EP disclosed
WO-1996014846-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-23 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D POLB 3529/4885SMN1; SMN2 3671/4885KMT2A 2886/4885

“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.