SCHEMBL3961972

SCHEMBL3961972

CN(Cc1ccccc1)c1ccc2c(c1Br)CCC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
PIM1 P11309 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
TSHR P16473 1/20 0.35
HPGD P15428 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL3969777 0.76 MAPT (0.38) LMNASMN1; SMN2MAPTTSHRFABP4
SCHEMBL3966947 0.69 RXRA (0.47) RXRARXRBRXRGMAOB
SCHEMBL3964467 0.69 MAPK14 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3961968 0.68 TAAR1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4741050 0.67 RXRA (0.47) ALDH1A1RXRARXRBRXRGTSHR
SCHEMBL17056471 0.66 ALDH1A1 (0.44) ALDH1A1LMNAMAPTHPGDTYMS
SCHEMBL6799619 0.64 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3375286 0.63 TSHR (0.56) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL12301185 0.63 SMN1; SMN2 (0.49) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL25397829 0.62 TSHR (0.50) ALDH1A1LMNANPC1RAB9ASMN1; SMN2

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-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R ALDH1A1 1731/4885LMNA 1739/4885NPC1 1826/4885

“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.