SCHEMBL20476006

SCHEMBL20476006

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CES1 P23141 1/20 0.42
▸ PLAU P00749 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTR1E P28566 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL5206413 0.84 TSHR (0.40) TSHRLMNAGAACES1PLAU
SCHEMBL1769433 0.80 TSHR (0.47) TSHRLMNACES1CA1CA2
SCHEMBL2817503 0.80 MAOA (0.52) TSHRCA1CA2IDO1LOXL2
SCHEMBL5643052 0.78 HSD11B1 (0.41) TSHRLMNAALDH1A1CYP3A4
SCHEMBL5371530 0.77 MAPT (0.45) TSHRLMNAALDH1A1MAPTHTR1E
SCHEMBL12883227 0.76 SLC6A4 (0.49) ALDH1A1
SCHEMBL5643048 0.76 HSD11B1 (0.40) TSHRCA1CA2TDP1ALDH1A1
SCHEMBL14176144 0.76 ATM (0.49) TSHRLMNACA1CA2LOXL2
SCHEMBL8353677 0.76 L3MBTL1 (0.47) ALDH1A1
SCHEMBL18040073 0.75 TSHR (0.52) TSHRLMNAGAACES1PLAU

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 3 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
WO-2018152368-A1 PYRROLO [1,2-B] PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2018-08-23 — — 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 (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 TSHR 2905/4885LMNA 3996/4885GAA 3964/4885

“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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