SCHEMBL9017873

SCHEMBL9017873

CC(=O)Nc1ccncc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CHUK O15111 1/20 0.43
TSHR P16473 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 2/20 0.41
DYRK1A Q13627 1/20 0.41
KDM4E B2RXH2 1/20 0.41
APOBEC3A P31941 1/20 0.41
GFER P55789 1/20 0.41
HDAC1 Q13547 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL8376711 0.85 HSD17B10 (0.42) MAPTPOLBNPC1RAB9ACHUK
SCHEMBL3194739 0.85 MAPT (0.47) MAPTPOLBNPC1RAB9ACHUK
SCHEMBL10338664 0.84 KDM4C (0.47) MAPTPOLBNPC1RAB9ACHUK
SCHEMBL4139383 0.81 ALDH1A1 (0.55) NPC1RAB9ACHUKTSHRHPGD
SCHEMBL1190850 0.80 TSHR (0.49) NPC1RAB9ATSHRKDM4ESMN1; SMN2
SCHEMBL16303156 0.80 GAA (0.51) MAPTLMNAGAATP53
SCHEMBL16305298 0.79 CA1 (0.46) NPC1RAB9ACHUKTSHRHPGD
SCHEMBL21214214 0.79 CHUK (0.43) MAPTPOLBNPC1RAB9ACHUK
SCHEMBL1430982 0.79 HDAC1 (0.46) MAPTRAB9ACHUKTSHRHPGD
SCHEMBL29290726 0.79 CHUK (0.43) MAPTPOLBNPC1RAB9ACHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593095-B2 Methods for the treatment of bacterial infections DUKE UNIVERSITY (US) 2017-03-14 US disclosed
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
US-20140371194-A1 METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS THE UNIVERSITY OF KANSAS 2014-12-18 US disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed
EP-0477903-B1 Substituted-4-amino-3-pyridinols, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-04-03 EP 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-20140371194-A1 METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CRYAB, HSP90B1, SERPINB1 MAPT 4278/4885POLB 695/4885NPC1 1325/4885

“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.