SCHEMBL2989541

SCHEMBL2989541

CN1CCN(NC(=O)c2ccncc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.67
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
GAA P10253 2/20 0.56
TSHR P16473 1/20 0.51
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.47
PLOD2 O00469 1/20 0.47
PLOD3 O60568 1/20 0.47
PLOD1 Q02809 1/20 0.47

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
SCHEMBL2999120 0.83 HTT (0.69) CYP2D6CYP2C9CYP2C19GAATSHR
SCHEMBL1576773 0.83 CYP2D6 (0.71) CYP2D6HDAC8HDAC6CYP2C9CYP2C19
SCHEMBL14679114 0.81 CYP2D6 (0.73) CYP2D6HDAC8HDAC6CYP2C9CYP2C19
SCHEMBL15153463 0.80 CYP2D6 (0.71) CYP2D6HDAC8HDAC6CYP2C9CYP2C19
SCHEMBL3117145 0.80 CYP2D6 (0.67) CYP2D6HDAC8HDAC6CYP2C9CYP2C19
SCHEMBL22982001 0.77 MAPT (0.52) GAATSHRALDH1A1SMN1; SMN2
SCHEMBL12228180 0.75 POLB (0.66) CYP2D6CYP2C9CYP2C19GAATSHR
SCHEMBL2994129 0.74 TSHR (0.49) CYP2D6CYP2C9CYP2C19GAATSHR
SCHEMBL31448278 0.74 CYP2D6 (0.55) CYP2D6HDAC8HDAC6CYP2C9CYP2C19
SCHEMBL2233620 0.74 CYP2D6 (0.58) CYP2D6HDAC8HDAC6CYP2C9CYP2C19

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
US-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS BRIDGE BIORESEARCH RIGHTS (JERSEY) LIMITED (GB) 2010-07-22 US disclosed
EP-2068873-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS Pharma 2100 (DK) 2009-06-17 EP disclosed
WO-2008031440-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS PHARMA 2100 (DK) 2008-03-20 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-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS ODC1, OTC, ACACB CYP2D6 37/4885HDAC8 705/4885HDAC6 1068/4885

“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.