SCHEMBL2199868

SCHEMBL2199868

NCc1ccc([C](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.59
TAAR1 Q96RJ0 1/20 0.56
F10 P00742 1/20 0.52
ABAT P80404 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
MAOB P27338 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRB2 P07550 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
F11 P03951 1/20 0.41

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
SCHEMBL69668 0.86 LOXL2 (0.59) LOXL2TAAR1F10ABATHDAC3
SCHEMBL22361625 0.86 LOXL2 (0.59) LOXL2TAAR1F10ABATHDAC3
SCHEMBL69667 0.86 LOXL2 (0.59) LOXL2TAAR1F10ABATHDAC3
SCHEMBL203283 0.82 ALDH1A1 (0.61) LOXL2TAAR1HDAC3HDAC6NCOR2
SCHEMBL13885490 0.82 CES2 (0.65) LOXL2TAAR1F10HDAC3HDAC6
Hydrochloric Acid SCHEMBL2450035 0.80 ALDH1A1 (0.58) LOXL2TAAR1HDAC3HDAC6NCOR2
Benzene SCHEMBL734439 0.79 LOXL2 (0.80) LOXL2TAAR1F10ABATHRH3
SCHEMBL3173519 0.78 CALM1 (0.60) CYP2C9TSHRCES2CES1PLA2G10
SCHEMBL21241003 0.77 ALDH1A1 (0.48) LOXL2TAAR1F10ABAT
SCHEMBL80681 0.77 LMNA (0.49) LOXL2TAAR1F10CYP1A2CYP2D6

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
US-20130172529-A1 METHOD FOR SYNTHESIZING THYMOSINS BCN PEPTIDES S.A. (ES) 2013-07-04 US disclosed
EP-2019118-B1 METHOD FOR SYNTHESIZING THYMOSINS BCN PEPTIDES SA (ES) 2012-11-07 EP disclosed
US-20110166071-A1 METHOD FOR SYNTHESIZING THYMOSINS BCN PEPTIDES S.A. (ES) 2011-07-07 US disclosed
EP-2019118-A1 METHOD FOR SYNTHESIZING THYMOSINS BCN Peptides, S.A. (ES) 2009-01-28 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 (2 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-20110166071-A1 METHOD FOR SYNTHESIZING THYMOSINS PTMS, PTMA, VIP LOXL2 4275/4885TAAR1 2838/4885F10 986/4885
US-20130172529-A1 METHOD FOR SYNTHESIZING THYMOSINS PTMS, PTMA, VIP LOXL2 4275/4885TAAR1 2838/4885F10 986/4885

“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.