SCHEMBL9948368

SCHEMBL9948368

c1ccc2c(c1)Cc1cc3c(cc1C2)Cc1cnccc1C3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
CYP19A1 P11511 7/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP11B2 P19099 3/20 0.37
CYP11B1 P15538 2/20 0.37
CYP1A2 P05177 1/20 0.36
NOTUM Q6P988 1/20 0.36
EED O75530 1/20 0.35
TNF P01375 2/20 0.35
CLK1 P49759 1/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8419080 0.86 SIGMAR1 (0.56) SIGMAR1CYP19A1CHRNB2CHRNA4HSD17B10
Ammonia Solution, Strong SCHEMBL28923744 0.84
SCHEMBL9948343 0.83 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4TDP1MEN1
SCHEMBL27027263 0.78 CYP19A1 (0.41) SIGMAR1CYP19A1CHRNB2CHRNA4ALOX15
SCHEMBL27027262 0.78 CYP19A1 (0.41) SIGMAR1CYP19A1CHRNB2CHRNA4ALOX15
SCHEMBL30322863 0.74 MAOA (0.47) SIGMAR1CYP19A1HSD17B10CYP11B2CYP11B1
SCHEMBL2239784 0.74 MAOA (0.47) SIGMAR1CYP19A1HSD17B10CYP11B2CYP11B1
SCHEMBL3075871 0.74 MAOA (0.47) SIGMAR1CYP19A1HSD17B10CYP11B2CYP11B1
SCHEMBL30322772 0.74 MAOA (0.47) SIGMAR1CYP19A1HSD17B10CYP11B2CYP11B1
SCHEMBL22270054 0.74 FNTA (0.38) SIGMAR1CYP19A1CHRNB2CHRNA4CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334384-B2 Process for preparing tetrahydrotetraazapentacenes and derivatives XEROX CORPORATION (US) 2012-12-18 US disclosed
US-8283659-B2 Tetrahydrotetraazapentacenes in thin-film transistors XEROX CORPORATION (US) 2012-10-09 US disclosed
US-20120161108-A1 TETRAHYDROTETRAAZAPENTACENES IN THIN-FILM TRANSISTORS XEROX CORPORATION (US) 2012-06-28 US disclosed
US-20120165529-A1 PROCESS FOR PREPARING TETRAHYDROTETRAAZAPENTACENES AND DERIVATIVES XEROX CORPORATION (US) 2012-06-28 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-20120161108-A1 TETRAHYDROTETRAAZAPENTACENES IN THIN-FILM TRANSISTORS CYP4Z1, TCF4, TERT SIGMAR1 2955/4885CYP19A1 299/4885CHRNB2 1461/4885
US-20120165529-A1 PROCESS FOR PREPARING TETRAHYDROTETRAAZAPENTACENES AND DERIVATIVES DHPS, TBXA2R, DHRS9 SIGMAR1 2317/4885CYP19A1 113/4885CHRNB2 2307/4885

“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.