SCHEMBL13624671

SCHEMBL13624671

C=Nc1ccccc1NN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
IDO1 P14902 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
POLB P06746 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
SCHEMBL11912167 0.76 CA12 (0.43) TDP1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL8521796 0.76 POLB (0.43) TDP1IDO1ALDH1A1L3MBTL1POLB
SCHEMBL23428723 0.76 MAPT (0.39) LMNACYP1A2CYP2D6CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL27844308 0.74 CA12 (0.42) TDP1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL27739040 0.74 CA12 (0.42) TDP1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL13952007 0.73 TDP1 (0.36) TDP1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL14273549 0.73 NPC1 (0.38) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1537798 0.73 ALDH1A1 (0.52) TDP1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL31484713 0.73 ALDH1A1 (0.52) TDP1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL19827908 0.71 IDO1 (0.40) TDP1LMNACYP1A2CYP2C19CYP3A4

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-20220030868-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES FMC CORPORATION 2022-02-03 US disclosed
EP-1961052-B1 ORGANIC SEMICONDUCTORS AND THEIR MANUFACTURE BASF SE (DE) 2013-03-06 EP disclosed
WO-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
EP-2065386-A1 CGRP antagonists Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-03 EP disclosed
EP-2062889-A1 Compounds Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008140792-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF AVALON PHARMACEUTICALS (US) 2008-11-20 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-20220030868-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES TUBA1A, TTBK1, TUBA1B TDP1 732/4885LMNA 1413/4885CYP1A2 151/4885

“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.