SCHEMBL10138693

SCHEMBL10138693

Cc1ccc(C(=O)N2CCCNCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRD O14764 1/20 0.64
GABRA1 P14867 1/20 0.64
GABRB1 P18505 1/20 0.64
GABRA5 P31644 1/20 0.64
GABRA3 P34903 1/20 0.64
GABRA2 P47869 1/20 0.64
GABRB2 P47870 1/20 0.64
GABRA4 P48169 1/20 0.64
SIGMAR1 Q99720 1/20 0.60
HPGD P15428 5/20 0.59
ALDH1A1 P00352 5/20 0.57
PKM P14618 2/20 0.57
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL10293551 0.94 GABRD (0.64) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL12017808 0.93 GABRD (0.71) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL9362932 0.93 GABRD (0.71) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL16574186 0.89 GABRD (0.66) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL3583338 0.86 HPGD (0.73) SIGMAR1HPGDALDH1A1KMT2AMEN1
SCHEMBL1753628 0.84 HPGD (0.76) HPGDALDH1A1PKMKMT2AMEN1
SCHEMBL10192065 0.84 ALDH1A1 (0.71) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL8358137 0.84 SIGMAR1 (0.81) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL14466291 0.84 SIGMAR1 (0.60) SIGMAR1HPGDALDH1A1KMT2AMEN1
SCHEMBL3063116 0.84 SIGMAR1 (0.60) SIGMAR1HPGDALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3241554-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2020-01-29 EP disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
WO-2012059932-A1 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-10 WO disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 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 (4 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 GABRD 1304/4885GABRA1 1791/4885GABRB1 1612/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GABRD 4080/4885GABRA1 3943/4885GABRB1 3037/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GABRD 2860/4885GABRA1 3597/4885GABRB1 1679/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GABRD 2860/4885GABRA1 3597/4885GABRB1 1679/4885

“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.