SCHEMBL4324877

SCHEMBL4324877

FC(F)(F)c1ccccc1-n1cnnn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ NOTUM Q6P988 5/20 0.50
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ HCAR1 Q9BXC0 1/20 0.40
▸ NPC1 O15118 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
SCHEMBL5839563 0.85 ALDH1A1 (0.56) ALDH1A1NPSR1NOTUMKMT2AMAPT
SCHEMBL28188344 0.83 NOTUM (0.60) ALDH1A1NPSR1NOTUMKMT2AMEN1
SCHEMBL12615992 0.80 ALDH1A1 (0.68) ALDH1A1NPSR1NOTUMKMT2AMAPT
SCHEMBL14242848 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AMAPT
SCHEMBL8540440 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AMAPT
SCHEMBL28188345 0.75 ALDH1A1 (0.49) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL5330184 0.72 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AMEN1
SCHEMBL436604 0.72 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AMEN1
SCHEMBL5549180 0.72 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AMEN1
SCHEMBL28955008 0.72 ALDH1A1 (0.58) ALDH1A1NPSR1NOTUMKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501198-A Sulfoxide tetranitroazole derivative and preparation method and application 南京农业大学 2017-12-22 — — CN disclosed
CN-104136431-A PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO 2014-11-05 — — CN disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 — — 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-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 ALDH1A1 145/4885NPSR1 2532/4885NOTUM 207/4885

“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.

Send feedback