SCHEMBL6674385

SCHEMBL6674385

CNc1ccc(-c2ccccc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TSHR P16473 3/20 0.48
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CYP1A2 P05177 5/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C19 P33261 4/20 0.45
CLK4 Q9HAZ1 3/20 0.45
GFER P55789 1/20 0.42
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
KIF11 P52732 1/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL5141361 0.86 TSHR (0.57) CA12CA1CA2TSHRCYP3A4
SCHEMBL29551674 0.83 CA12 (0.61) CA12CA1CA2CA9TSHR
SCHEMBL3633054 0.83 CA12 (0.61) CA12CA1CA2CA9TSHR
SCHEMBL25973862 0.82 TSHR (0.59) TSHRGFERKIF11ALOX15HSD17B10
SCHEMBL4541662 0.81 CA12 (0.59) CA12CA1CA2CA9TSHR
SCHEMBL29551646 0.81 CA12 (0.59) CA12CA1CA2CA9TSHR
Hydrochloric Acid SCHEMBL29106621 0.79 CA12 (0.50) CA12CA1CA2CA9TSHR
SCHEMBL23546571 0.77 TSHR (0.46) CA12CA1CA2TSHRCYP3A4
SCHEMBL4433057 0.77 CYP2A6 (0.58) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6490058 0.77 ALDH1A1 (0.58) CA12CA1CA2TSHRGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250048-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-10 US disclosed
EP-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
US-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 US disclosed
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 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 (3 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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN CA12 4873/4885CA1 4884/4885CA2 4751/4885
US-20230250048-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE NOS1, NOM1, NCF1 CA12 2398/4885CA1 2036/4885CA2 2084/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 CA12 4877/4885CA1 4751/4885CA2 4527/4885

“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.