SCHEMBL5584839

SCHEMBL5584839

COc1cccc2cc(-c3nnc(C(F)(F)F)o3)oc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
APOBEC3G Q9HC16 1/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 3/20 0.46
PKM P14618 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL5584453 0.81 ALDH1A1 (0.53) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL5584744 0.81 AKR1C3 (0.42) ALDH1A1KDM4EF2RL3HDAC6ADORA3
SCHEMBL5584743 0.80 F2RL3 (0.43) ALDH1A1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL5584751 0.79 ADCY8 (0.39) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL5585419 0.79 RAB9A (0.70) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL5722935 0.70 RAB9A (0.64) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL5722821 0.70 ALDH1A1 (0.58) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL5907517 0.70 ALDH1A1 (0.51) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL17716987 0.69 KDM4E (0.62) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL3118569 0.69 ELANE (0.65) ALDH1A1RAB9AKDM4EMAPTSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US claimed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP claimed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US claimed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US claimed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885RAB9A 2487/4885KDM4E 610/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885RAB9A 2487/4885KDM4E 610/4885

“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.