SCHEMBL21162018

SCHEMBL21162018

COC(=O)NC1(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTR1E P28566 1/20 0.44
S1PR3 Q99500 1/20 0.44
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
POLB P06746 2/20 0.42
SLC6A3 Q01959 2/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 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
SCHEMBL15524658 0.94 MAPT (0.45) MAPTNPSR1HTR1ES1PR3HTT
SCHEMBL2815591 0.94 MAPT (0.48) MAPTNPSR1HTR1ES1PR3HTT
SCHEMBL4093183 0.86 MAPT (0.45) MAPTNPSR1HTR1ES1PR3POLB
SCHEMBL21162020 0.84 MAPK1 (0.47) MAPTNPSR1HTR1ES1PR3POLB
SCHEMBL20476242 0.83 NPSR1 (0.47) MAPTNPSR1HTR1ES1PR3ALDH1A1
SCHEMBL17109514 0.81 MAPT (0.43) MAPTNPSR1HTR1ES1PR3SLC6A3
SCHEMBL17109516 0.81 NPSR1 (0.42) MAPTNPSR1HTR1ES1PR3HTT
SCHEMBL17109521 0.80 MEN1 (0.47) MAPTNPSR1HTR1ES1PR3ALDH1A1
SCHEMBL27875249 0.79 RAB9A (0.49) TDP1
SCHEMBL10155681 0.78 LMNA (0.44) MAPTNPSR1HTTPKMPOLB

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
EP-3583105-B1 PYRROLO [1,2-B]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2024-02-07 EP disclosed
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 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 (1 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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 MAPT 1424/4885NPSR1 666/4885HTR1E 2560/4885

“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.