SCHEMBL2234607

SCHEMBL2234607

O=Cc1ncn2c1CCCc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SRD5A1 P18405 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX15 P16050 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2236516 0.91 SRD5A1 (0.43) HCAR1SMN1; SMN2TSHRNPC1MAPT
SCHEMBL23050248 0.78 IDH1 (0.42) HCAR1NOTUM
SCHEMBL2233575 0.73 GABRG2 (0.54) TSHRLMNAPOLB
SCHEMBL2232968 0.73 KDM4E (0.31) KDM4E
SCHEMBL2238273 0.73 SMN1; SMN2 (0.39) HCAR1SMN1; SMN2TSHRNPC1TP53
SCHEMBL2234057 0.72 HTR2A (0.32) SIGMAR1
SCHEMBL2235135 0.72 NOTUM (0.39) HCAR1NOTUM
SCHEMBL2237635 0.72 NOTUM (0.38) HCAR1NOTUMALDH1A1MEN1KMT2A
SCHEMBL2235772 0.71 IDH1 (0.38) HCAR1SMN1; SMN2TSHRMAPTLMNA
SCHEMBL2234256 0.71 NOTUM (0.38) HCAR1TSHRMAPTSRD5A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 HCAR1 3057/4885SMN1; SMN2 4075/4885TSHR 48/4885

“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.