SCHEMBL7119559

SCHEMBL7119559

Cc1c(N=C=S)cccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 6/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLAU P00749 1/20 0.44
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 2/20 0.43
DUSP3 P51452 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41

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
SCHEMBL3837781 0.85 CYP3A4 (0.63) TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7117597 0.85 TDP1 (0.46) TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL61329 0.82 PLAU (0.58) TDP1TSHRALDH1A1CYP1A2KMT2A
SCHEMBL7609777 0.81 TSHR (0.49) TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL11065566 0.80 PLAU (0.44) TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL18887676 0.79 TDP1 (0.67) TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL1995839 0.78 CYP3A4 (0.60) TDP1TSHRALDH1A1CYP1A2HPGD
SCHEMBL3305095 0.77 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8222001 0.77 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL18244845 0.77 TDP1 (0.48) TDP1TSHRSMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
CN-1337955-A Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents AMERICAN BAYER CORP (US) 2002-02-27 CN disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 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 (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-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 TDP1 3939/4885TSHR 67/4885SMN1; SMN2 4733/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 TDP1 1795/4885TSHR 2283/4885SMN1; SMN2 3822/4885

“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.