SCHEMBL970693

SCHEMBL970693

Sc1nnc(-c2ccccc2Cl)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
HPGD P15428 5/20 0.62
HSD17B10 Q99714 4/20 0.62
KDM4E B2RXH2 3/20 0.62
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
GUSB P08236 1/20 0.50
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 2/20 0.49
PKM P14618 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49

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
SCHEMBL9848132 0.80 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10KDM4ECA12
SCHEMBL968101 0.78 KDM4E (0.61) ALDH1A1HPGDHSD17B10KDM4EGUSB
SCHEMBL29678599 0.78 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL8045944 0.78 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL8048082 0.78 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10KDM4ECA12
SCHEMBL11025136 0.77 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10KDM4ECA12
SCHEMBL22469017 0.77 GUSB (0.46) ALDH1A1HPGDHSD17B10KDM4EGUSB
SCHEMBL8046899 0.77 HDAC1 (0.43) ALDH1A1HPGDHSD17B10KDM4ECA12
SCHEMBL971700 0.77 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGUSBNPC1
SCHEMBL21065048 0.77 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10KDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 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 (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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 ALDH1A1 2976/4885HPGD 2051/4885HSD17B10 1147/4885

“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.