SCHEMBL2116642

SCHEMBL2116642

Cn1ccc(I)c(Cl)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 2/20 0.41
BRD4 O60885 1/20 0.41
TAF1 P21675 1/20 0.41
BRPF1 P55201 1/20 0.41
CREBBP Q92793 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
CRBN Q96SW2 1/20 0.34
CYP2C9 P11712 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
KDM6A O15550 1/20 0.32
KDM4A O75164 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM5C P41229 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
DOHH Q9BU89 1/20 0.32

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
SCHEMBL27103932 0.77 BRD9 (0.39) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL22990391 0.76 BRD9 (0.42) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL21921079 0.76 BRD4 (0.38) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL19785547 0.74 BRD9 (0.37) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL18259435 0.74 BRD9 (0.41) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL24866845 0.72 HTR1A (0.39) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL21726267 0.71 BRD4 (0.35) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL24126323 0.71 BRD4 (0.35) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL21978998 0.71 LMNA (0.56) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL2113724 0.69 PTGS2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175081-A1 SHP2 INHIBITOR COMPOUND AND USE THEREOF 深圳真实生物医药科技有限公司 2024-08-29 WO disclosed
US-8158652-B2 1-Difluoromethyl-5-{4-[3-(1-piperidinyl)propoxy]phenyl}-2(1H)-pyridone; compounds act as histamine-H3 receptor antagonistic substances or inverse-agonistic substances; useful as preventives or remedies for various circular system diseases, nervous system diseases, metabolic system diseases MSD K.K. (JP) 2012-04-17 US disclosed
US-20080269287-A1 Substituted Pyridone Derivative MSD K.K. (JP) 2008-10-30 US disclosed
EP-1820797-A1 SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-22 EP 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-20080269287-A1 Substituted Pyridone Derivative HRH3, HRH4, HRH1 BRD9 1942/4885BRD4 492/4885TAF1 2023/4885

“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.