SCHEMBL12980385

SCHEMBL12980385

Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ MAPT P10636 9/20 0.60
▸ TP53 P04637 4/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.59
▸ HPGD P15428 3/20 0.58
▸ LMNA P02545 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ POLB P06746 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52

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
SCHEMBL12981100 0.92 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MAPTTP53RXFP1
SCHEMBL16755258 0.88 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPTTP53RXFP1
SCHEMBL12963278 0.86 MAPT (0.74) SMN1; SMN2ALDH1A1MAPTTP53RXFP1
SCHEMBL12980465 0.85 MAPT (0.65) SMN1; SMN2ALDH1A1MAPTTP53RXFP1
SCHEMBL5732423 0.85 SCD (0.69) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL12980621 0.85 MMP2 (0.63) SMN1; SMN2ALDH1A1MAPTTP53HPGD
SCHEMBL24711776 0.85 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1MAPTTP53RXFP1
SCHEMBL12980863 0.85 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MAPTTP53RXFP1
SCHEMBL12963276 0.83 MAPT (0.67) SMN1; SMN2ALDH1A1MAPTTP53RXFP1
SCHEMBL12963451 0.82 RAB9A (0.69) SMN1; SMN2ALDH1A1MAPTTP53RXFP1

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-20150150852-A1 TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2015-06-04 — — US disclosed
US-20150150852-A1 TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2015-06-04 — — US disclosed
US-8993604-B2 Treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2015-03-31 — — US disclosed
US-8993604-B2 Treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2015-03-31 — — US disclosed
US-20120258079-A1 Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-10-11 — — US disclosed
US-20120258079-A1 Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-10-11 — — 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-20150150852-A1 TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS HAVCR2, TTPA, CHIA SMN1; SMN2 814/4885ALDH1A1 899/4885MAPT 118/4885
US-20120258079-A1 Treatment and Prevention of Dengue Virus Infections HAVCR2, TTPA, CHIA SMN1; SMN2 814/4885ALDH1A1 899/4885MAPT 118/4885

“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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