SCHEMBL6985100

SCHEMBL6985100

O=C(NCC(F)(F)C(F)(F)C(F)(F)F)c1cnc2c([N+](=O)[O-])cc(F)cc2c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 3/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 3/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
GAA P10253 1/20 0.33
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 3/20 0.32
CA2 P00918 1/20 0.32
NR3C1 P04150 1/20 0.32

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
SCHEMBL926361 0.72 KMT2A (0.50) MEN1KMT2AHTTMAPTLMNA
SCHEMBL7801020 0.67 HSP90AA1 (0.43) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL9651562 0.65 TTR (0.48) MEN1KMT2AHTTMAPTCYP1A2
SCHEMBL6985261 0.65 CA2 (0.40) CA2
SCHEMBL6579452 0.64 CA2 (0.40) NPC1RAB9ACA2
SCHEMBL12494339 0.63 MAPT (0.48) MEN1KMT2AHTTMAPTCYP1A2
SCHEMBL926032 0.62 ALDH1A1 (0.48) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6538436 0.61 ALDH1A1 (0.61) MEN1KMT2AHTTMAPTCYP2C19
SCHEMBL24869259 0.61 CFTR (0.41) MEN1KMT2ANPC1RAB9ACA2
SCHEMBL28317694 0.60 CTSD (0.46) MEN1KMT2AHTTMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027351-B1 PHENANTHROLINE DERIVATIVES FIBROGEN INC (US) 2003-12-03 EP disclosed
US-20010001101-A1 Phenanthroline derivatives ZENECA LIMITED 2001-05-10 US disclosed
US-6200974-B1 FOR PRODUCING AN ANTI-FIBROPROLIFERATIVE EFFECT ZENECA LIMITED (GB) 2001-03-13 US disclosed
EP-1027351-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 2000-08-16 EP disclosed
WO-1999021860-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 1999-05-06 WO 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-20010001101-A1 Phenanthroline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, COL1A1, COL2A1 MEN1 2187/4885KMT2A 1250/4885HTT 417/4885

“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.