SCHEMBL17888347

SCHEMBL17888347

Cc1ccc(C(=O)N2CCCC(O)(CN(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.53
▸ GABRD O14764 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ GABRB1 P18505 1/20 0.50
▸ GABRA5 P31644 1/20 0.50
▸ GABRA3 P34903 1/20 0.50
▸ GABRA2 P47869 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ GABRA4 P48169 1/20 0.50
▸ KMT2A Q03164 5/20 0.48
▸ PKLR P30613 1/20 0.48
▸ JAK1 P23458 3/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HPGD P15428 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ L3MBTL3 Q96JM7 1/20 0.43

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
SCHEMBL17886703 0.86 KMT2A (0.59) ALDH1A1KMT2APKLRMEN1SMN1; SMN2
SCHEMBL17888436 0.82 ALDH1A1 (0.53) ALDH1A1GABRDGABRA1GABRB1GABRA5
SCHEMBL16084000 0.76 ALDH1A1 (0.57) ALDH1A1GABRDGABRA1GABRB1GABRA5
SCHEMBL12606646 0.76 GABRD (0.65) ALDH1A1GABRDGABRA1GABRB1GABRA5
SCHEMBL1753628 0.75 HPGD (0.76) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL10192065 0.75 ALDH1A1 (0.71) ALDH1A1GABRDGABRA1GABRB1GABRA5
SCHEMBL15473398 0.74 GABRD (0.63) ALDH1A1GABRDGABRA1GABRB1GABRA5
SCHEMBL257545 0.74 HPGD (0.80) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL13536268 0.74 HPGD (0.80) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL20460439 0.74 HPGD (0.80) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — 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 (2 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 ALDH1A1 1339/4885GABRD 1304/4885GABRA1 1791/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 ALDH1A1 1339/4885GABRD 1304/4885GABRA1 1791/4885

“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.

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