SCHEMBL5215746

SCHEMBL5215746

O=C(O)C(=O)c1sccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
GAA P10253 4/20 0.46
AGTR1 P30556 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 3/20 0.40
PTPN1 P18031 2/20 0.40
OPRM1 P35372 1/20 0.40
PTPN2 P17706 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL154710 0.82
SCHEMBL5037614 0.81 MAPT (0.47) MAPTKMT2AALDH1A1HTTGAA
Hydrochloric Acid SCHEMBL940187 0.80 MAPT (0.50) MAPTKMT2AALDH1A1HTTGAA
SCHEMBL3788559 0.80 MAPT (0.41) MAPTKMT2AALDH1A1HTTGAA
SCHEMBL3788560 0.80 MAPT (0.41) MAPTKMT2AALDH1A1HTTGAA
Hydrazine SCHEMBL27615552 0.78 MAPT (0.49) MAPTKMT2AALDH1A1HTTGAA
SCHEMBL4337185 0.77
SCHEMBL281979 0.77
SCHEMBL24577696 0.77 MAPT (0.46) MAPTKMT2AALDH1A1HTTGAA
SCHEMBL13225705 0.76 KMT2A (0.50) MAPTKMT2AALDH1A1HTTGAA

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
US-20070275954-A1 Novel Fused Heterocycles and Uses Thereof ASTRAZENECA AB (SE) 2007-11-29 US disclosed
EP-1751119-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2007-02-14 EP disclosed
WO-2005111001-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2005-11-24 WO disclosed
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 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 (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-20070275954-A1 Novel Fused Heterocycles and Uses Thereof VIP, CCKBR, HRH2 MAPT 4771/4885KMT2A 3978/4885ALDH1A1 836/4885
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 MAPT 1238/4885KMT2A 981/4885ALDH1A1 1237/4885

“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.