SCHEMBL19639914

SCHEMBL19639914

NOS(=O)(=O)c1ccc2[nH]ncc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.50
ROCK1 Q13464 4/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 2/20 0.48
NOS1 P29475 4/20 0.47
POLB P06746 1/20 0.47
MAOB P27338 1/20 0.47
METAP2 P50579 1/20 0.46
CSNK2A1 P68400 1/20 0.46
KDR P35968 1/20 0.45
CLK1 P49759 2/20 0.42

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
SCHEMBL31647068 0.81 KDR (0.57) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL5220947 0.81 KDR (0.57) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL692845 0.78 NOS1 (0.55) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL6298004 0.78 NOS1 (0.51) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL3058692 0.78 MAPK1 (0.55) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL10179696 0.78 TMEM97 (0.52) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL29509879 0.78 NOS1 (0.55) ROCK2ROCK1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL27659736 0.77 MAPK1 (0.54) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL4008892 0.75 APEX1 (0.52) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL11575869 0.74 DYRK3 (0.54) ROCK2ROCK1MAPTMEN1KMT2A

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-10246440-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR γ (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20170342062-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-11-30 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-10246440-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR γ (T)) RORA, RORB, RORC ROCK2 2487/4885ROCK1 2127/4885MAPT 673/4885
US-20170342062-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) RORA, RORB, RORC ROCK2 2489/4885ROCK1 2165/4885MAPT 664/4885

“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.