SCHEMBL20992176

SCHEMBL20992176

O=C1Cc2ccccc2C(I)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
ANPEP P15144 3/20 0.46
TP53 P04637 1/20 0.43
RECQL P46063 1/20 0.43
HTR2A P28223 6/20 0.42
CYP2A6 P11509 1/20 0.42
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HRH1 P35367 3/20 0.38
HTR2C P28335 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3800822 0.76 CYP1A2 (0.48) CYP1A2ANPEPTP53RECQLHTR2A
SCHEMBL17050195 0.76 ANPEP (0.55) CYP1A2ANPEPTP53RECQLHTR2A
SCHEMBL6653008 0.76 CYP1A2 (0.48) CYP1A2ANPEPTP53RECQLHTR2A
SCHEMBL291542 0.73 SIGMAR1 (0.50) CYP1A2ANPEPHTR2AGAAMAPT
SCHEMBL17031841 0.72 CYP1A2 (0.43) CYP1A2ANPEPTP53RECQLHTR2A
SCHEMBL17039147 0.72 HTR2A (0.44) CYP1A2ANPEPTP53RECQLHTR2A
SCHEMBL19368260 0.72 HTR2A (0.44) CYP1A2ANPEPTP53RECQLHTR2A
SCHEMBL11144393 0.71 CYP1A2 (0.58) CYP1A2ANPEPHTR2ACYP2A6HRH1
SCHEMBL23568869 0.71 HTR2A (0.38) ANPEPHTR2AHRH1HTR2C
SCHEMBL300150 0.69 HTR2A (0.50) CYP1A2ANPEPTP53RECQLHTR2A

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-4129407-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-02-08 EP disclosed
EP-3110418-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2019-11-06 EP disclosed
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 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-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CYP1A2 94/4885ANPEP 614/4885TP53 3956/4885

“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.