SCHEMBL1964419

SCHEMBL1964419

CCCCCCNn1cccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.42
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
CYP4Z1 Q86W10 4/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
THRB P10828 1/20 0.36
NAAA Q02083 1/20 0.35
PPARA Q07869 2/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL5358426 1.00 EPHX1 (0.42) EPHX1GNAI3GNAO1GNAI1CYP4Z1
SCHEMBL4721360 0.80
SCHEMBL10770404 0.74 TBXAS1 (0.50) EPHX1GNAI3GNAO1GNAI1CYP4Z1
SCHEMBL28881459 0.74 TBXAS1 (0.50) EPHX1GNAI3GNAO1GNAI1CYP4Z1
SCHEMBL11883639 0.73 ALDH1A1 (0.40) EPHX1GNAI3GNAO1GNAI1CYP4Z1
Heptane SCHEMBL28254518 0.67 TSHR (0.47) TSHRALDH1A1THRB
Benzene SCHEMBL28999842 0.67 TSHR (0.77) EPHX1TSHRALDH1A1ADH1BADH1C
Heptane SCHEMBL28253586 0.67 TSHR (0.47) TSHRALDH1A1THRB
Benzene SCHEMBL28999857 0.67 TSHR (0.77) EPHX1TSHRALDH1A1ADH1BADH1C
Octane SCHEMBL28301548 0.67 TSHR (0.47) TSHRALDH1A1THRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334682-B1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN INC (US) 2017-10-04 EP disclosed
US-8217043-B2 Compounds and methods for their use FIBROGEN, INC. (US) 2012-07-10 US disclosed
EP-2334682-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS Fibrogen, Inc. (US) 2011-06-22 EP disclosed
WO-2010022240-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN, INC. (US) 2010-02-25 WO disclosed
US-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE FIBROGEN, INC. 2010-02-25 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-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE HIF1AN, HIF1A, EGLN3 EPHX1 812/4885GNAI3 2093/4885GNAO1 1296/4885

“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.