SCHEMBL895866

SCHEMBL895866

CCC(C(=O)O)c1ncccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.42
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 1/20 0.40
S1PR3 Q99500 3/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
S1PR1 P21453 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
P2RX7 Q99572 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL3954421 0.86 DPP8 (0.39) KCNQ2LMNASMN1; SMN2ALDH1A1S1PR3
SCHEMBL895915 0.82 SMN1; SMN2 (0.41) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL895816 0.81 AKR1C3 (0.41) LMNASMN1; SMN2ALDH1A1AKR1C3AKR1C2
SCHEMBL3746240 0.78 CXCL8 (0.42) LMNASMN1; SMN2ALDH1A1S1PR3AKR1C3
SCHEMBL896359 0.78 AKR1C3 (0.38) KCNQ2LMNASMN1; SMN2ALDH1A1AKR1C3
SCHEMBL896615 0.77 AKR1C3 (0.46) AKR1C3AKR1C2DHODH
SCHEMBL28193413 0.77 NPC1 (0.40) LMNASMN1; SMN2ALDH1A1S1PR3NPC1
SCHEMBL1331826 0.76 CYP2D6 (0.36) S1PR3NPC1RAB9AS1PR1KMT2A
SCHEMBL31561709 0.76 LMNA (0.39) LMNASMN1; SMN2ALDH1A1S1PR3NPC1
SCHEMBL1268313 0.76 ALDH1A1 (0.57) LMNASMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK KCNQ2 1137/4885LMNA 2869/4885SMN1; SMN2 2463/4885

“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.