SCHEMBL4778868

SCHEMBL4778868

Cc1cc(=O)c2cccc([N+](=O)[O-])c2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.63
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.44
MAOA P21397 1/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 3/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
KLK3 P07288 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 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
SCHEMBL2528399 0.79 ALDH1A1 (0.59) GPR35ALDH1A1LMNAMAPTMEN1
SCHEMBL4777597 0.79 GPR35 (0.60) GPR35TDP1ALDH1A1LMNAMAPT
SCHEMBL7828455 0.79 MAOA (0.60) GPR35TDP1ALDH1A1MAPTMEN1
SCHEMBL4761517 0.78 GPR35 (0.59) GPR35TDP1ALDH1A1LMNAMAPT
SCHEMBL27485531 0.78 GPR35 (0.59) GPR35TDP1ALDH1A1LMNAMAPT
SCHEMBL4250005 0.78 GPR35 (1.00) GPR35TDP1ALDH1A1LMNA
SCHEMBL7628829 0.77 GPR35 (0.78) GPR35TDP1ALDH1A1LMNAMAPT
SCHEMBL4254530 0.76 GPR35 (0.72) GPR35ALDH1A1LMNAMAPTMEN1
SCHEMBL4249992 0.76 GPR35 (0.67) GPR35ALDH1A1LMNAMAPTMEN1
SCHEMBL29677981 0.76 PRKDC (0.55) GPR35ALDH1A1MAPTSMN1; SMN2MAPK1

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
CN-118994079-A Method for synthesizing chromone, 1-thiochromone and gamma-pyrone compounds 中国科学院上海药物研究所 2024-11-22 CN disclosed
EP-1897873-A1 A process for the preparation of nitrile compounds used as intermediates in the synthesis of cysteinyl leukotrienes antagonists Dipharma Francis S.r.l. (IT) 2008-03-12 EP disclosed
US-20080039640-A1 PROCESS FOR THE PREPARATION OF NITRILE COMPOUNDS DIPHARMA FRANCIS S.R.L. (IT) 2008-02-14 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-20080039640-A1 PROCESS FOR THE PREPARATION OF NITRILE COMPOUNDS NOS1, REN, NOS2 GPR35 3732/4885TDP1 2886/4885ALDH1A1 811/4885

“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.