SCHEMBL971281

SCHEMBL971281

CCCCC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
ALDH1A1 P00352 3/20 0.65
HPGD P15428 1/20 0.63
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
RAB9A P51151 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.57
IDO1 P14902 1/20 0.57

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
SCHEMBL30446090 0.93 RAB9A (0.62) MEN1KMT2AALDH1A1HPGDCA1
SCHEMBL2145974 0.89 TP53 (0.72) MEN1KMT2AALDH1A1HPGDCA12
SCHEMBL15317963 0.85 HDAC1 (0.64) MEN1KMT2AALDH1A1HPGDTP53
SCHEMBL28850547 0.84 TP53 (0.83) MEN1KMT2AALDH1A1HPGDCA12
SCHEMBL19263533 0.84 KMT2A (0.66) MEN1KMT2AHPGDRAB9ATP53
SCHEMBL13973086 0.84 ALDH1A1 (0.64) ALDH1A1HPGDCA12CA1CA2
SCHEMBL5537059 0.84 ALDH1A1 (0.64) ALDH1A1HPGDCA12CA1CA2
SCHEMBL22463794 0.84 KMT2A (0.66) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL6694936 0.84 HDAC3 (0.72) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL4581542 0.84 PSMB11 (0.72) MEN1KMT2AALDH1A1HPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812505-A PI5P4K gamma inhibitor compound, pharmaceutical composition, and preparation method and application thereof 贵州医科大学 2024-10-22 CN disclosed
CN-116143844-A Hydrophilic trimeric indenyl metal organic nickel octahedral cage and preparation method and application thereof 江苏科技大学 2023-05-23 CN disclosed
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-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 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
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 WO disclosed
EP-0946528-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028282-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 MEN1 299/4885KMT2A 2133/4885ALDH1A1 2976/4885

“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.