SCHEMBL8401102

SCHEMBL8401102

COCC(CO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRPA1 O75762 3/20 0.42
MAPT P10636 1/20 0.42
PRKCA P17252 2/20 0.41
PRKCD Q05655 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
AGTR1 P30556 1/20 0.38
GSR P00390 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11365522 0.87 HPGD (0.40) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL813771 0.87 CYP1A2 (0.50) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL1169267 0.83 CYP1A2 (0.42) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL9246055 0.83 CYP1A2 (0.42) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL11992984 0.81 LMNA (0.45) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL12819487 0.81 LMNA (0.45) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL4476581 0.81 LMNA (0.45) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL148756 0.79 TRPA1 (0.48) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL7782492 0.79 HPGD (0.41) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL7782494 0.79 HPGD (0.41) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11680070-B2 Thieno[2,3-c]pyridazin-4(1H)-one derivative and application thereof MEDSHINE DISCOVERY INC. (CN) 2023-06-20 US disclosed
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed
WO-2017099237-A1 AMINOAZOLE DERIVATIVE 帝人ファーマ株式会社 2017-06-15 WO disclosed
EP-2668177-B1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8772305-B2 Substituted pyridinyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
EP-2668177-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP disclosed
US-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
WO-2012101013-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO disclosed
US-5874097-A ANALYZING AIR SAMPLES NEAR OR IN BUILDINGS FOR THE PRESENCE OF A REPORTER MOLECULE, PREFERABLY NAPHTHALENE, TO INDICATE THE PRESENCE OF A TERMITE NEST BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1999-02-23 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-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS ADORA1, P2RY1, P2RY11 CYP1A2 104/4885CYP2D6 26/4885PKM 1576/4885
US-11680070-B2 Thieno[2,3-c]pyridazin-4(1H)-one derivative and application thereof ACACB, ACACA, NAT1 CYP1A2 92/4885CYP2D6 941/4885PKM 1217/4885

“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.