SCHEMBL12758175

SCHEMBL12758175

CCCCOc1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 4/20 0.60
▸ CTSL P07711 4/20 0.60
▸ GABRA1 P14867 1/20 0.52
▸ GABRG2 P18507 1/20 0.52
▸ GABRB3 P28472 1/20 0.52
▸ GABRA5 P31644 1/20 0.52
▸ GABRA2 P47869 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ MAPT P10636 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PARP1 P09874 1/20 0.48
▸ POLB P06746 3/20 0.47
▸ KIF11 P52732 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ PKM P14618 1/20 0.46

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
SCHEMBL29591842 0.84 KDM4E (0.57) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL17514353 0.84 KDM4E (0.57) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL1181214 0.81 CTSV (0.86) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL155013 0.79 GABRA1 (0.70) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL29540314 0.79 GABRA1 (0.70) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL2565246 0.77 MAPT (0.67) KCNH2MAPTNPC1RAB9AMEN1
SCHEMBL19583379 0.77 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL19583349 0.77 GABRP (0.65) CTSVCTSLGABRA1GABRG2GABRB3
SCHEMBL17905717 0.77 CHRNB2 (0.68) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL12758174 0.76 HTR1B (0.52) GABRA1GABRG2GABRB3GABRA5GABRA2

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-8932557-B2 Imaging agents for detecting neurological dysfunction ELI LILLY AND COMPANY (US) 2015-01-13 — — US disclosed
US-20120302755-A1 Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-29 — — US disclosed
US-8318132-B2 Imaging agents for detecting neurological dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-27 — — US disclosed
US-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTION USA, INC. 2011-04-21 — — US disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 — — 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 (3 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-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION FABP7, TSPO, SLC18A3 CTSV 567/4885CTSL 2211/4885GABRA1 1458/4885
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction FABP7, SLC18A3, TSPO CTSV 462/4885CTSL 2089/4885GABRA1 1531/4885
US-20120302755-A1 Imaging Agents for Detecting Neurological Dysfunction SLC18A3, TSPO, CHAT CTSV 1203/4885CTSL 1918/4885GABRA1 180/4885

“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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