SCHEMBL3904110

SCHEMBL3904110

NC(=O)N1CCCCC1.O=C(O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.52
MAPT P10636 7/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL442397 0.83 HPD (0.60) HPDMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL3911103 0.83 MAPT (0.50) MAPTCYP3A4POLBALDH1A1HTT
Ammonia Solution, Strong SCHEMBL28953061 0.82 HPD (0.59) HPDMAPTCYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL11776053 0.82 HPD (0.59) HPDMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL3899956 0.82 POLB (0.49) MAPTCYP3A4POLBMEN1ALDH1A1
SCHEMBL3898845 0.82 MAPT (0.49) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3899455 0.82 POLB (0.49) MAPTCYP3A4POLBMEN1ALDH1A1
SCHEMBL3905789 0.82 HPGD (0.68) CYP2C19POLBLMNAMEN1ALDH1A1
Piperidine SCHEMBL3903114 0.81 HPD (0.56) HPDMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3900886 0.80 POLB (0.47) MAPTNPSR1POLBLMNAMEN1

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-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 US disclosed
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
EP-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 EP disclosed
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 WO disclosed
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-11 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-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR HPD 3505/4885MAPT 4478/4885CYP1A2 591/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 HPD 2469/4885MAPT 4689/4885CYP1A2 386/4885

“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.